Compound: cytosine
SMILES: O=c1nccc([nH]1)N
InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
Synonyms: cytosine, 71-30-7, 4-Amino-2-hydroxypyrimidine, 4-aminopyrimidin-2(1H)-one, Cytosinimine, 2(1H)-Pyrimidinone, 4-amino-, 4-Amino-2(1H)-pyrimidinone, 6-amino-1H-pyrimidin-2-one, DTXSID4044456, NSC-27787, 8J337D1HZY, CHEBI:16040, 4-amino-3h-pyrimidin-2-one, DTXCID2024456, NSC27787, 6-amino-1,2-dihydropyrimidin-2-one, RefChem:5728, 200-749-5, 4-Aminouracil, 6-Aminopyrimidin-2(1h)-One, 4-aminopyrimidin-2-ol, MFCD00006034, 2(1H)-pyrimidinone, 6-amino-, 4-amino-2-oxo-1,2-dihydropyrimidine, 4-amino-2-pyrimidinol, Cytosin, Cyt, AI3-52281, 107646-83-3, 134434-40-5, 107646-84-4, 4-Aminopyrimidin-2-(1H)-one, 4-Aminopyrimidin-2(1H)-one (Cytosine), 6-amino-3-hydropyrimidin-2-one, pyrimidine, 4-amino-2-hydroxy-, 4-Amino-1H-pyrimidin-2-one, SMR000857094, EINECS 200-749-5, Lamivudine EP Impurity E, 4-amino-1,2-dihydropyrimidin-2-one, NSC 27787, 2-Pyrimidinol, 1,4-dihydro-4-imino-, aminopyrimidone, UNII-8J337D1HZY, Zytosin, iminopyrimidinone, 134434-39-2, 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-, (E)- (9CI), 3h-cytosine, 66460-18-2, 66460-21-7, Cytosine (8CI), Cytosine (Standard), Lamivudine impurity c, Cytosine, >=99%, 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-, (Z)- (9CI), 2(1H)-Pyrimidinone, 4-amino- (9CI), Lamivudine impurity c rs, CYTOSINE [MI], 4-amino-pyrimidin-2-ol, 4-Amino-2-oxypyrimidine, 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-, bmse000180, CYTOSINE [USP-RS], CYTOSINE [WHO-DD], Epitope ID:167475, 4-Amino-2(1H)pyrimidone, EC 200-749-5, Gemcitabine impurity A CRS, SCHEMBL4059, SCHEMBL8618, 4-Amino-2(1H)-pyrimidone, 2-Hydroxy-6-amino-pyrimidin, MLS001332635, MLS001332636, CHEMBL15913, SCHEMBL308339, SCHEMBL437958, SCHEMBL437959, SCHEMBL655341, GTPL8490, orb1302527, SCHEMBL4818561, SCHEMBL6547006, SCHEMBL8921275, SCHEMBL10402537, HY-I0626R, MSK6920, HMS2233N21, HMS3369N05, HMS5083D22, Cytosine, >=99.0% (HPLC), ALBB-021996, HY-I0626, STR01426, Tox21_302139, EBC-06142, EBC-44129, s4893, SBB071711, STK366767, STL455080, AKOS000120336, AKOS005443393, AKOS015896942, AC-2489, CCG-266052, CS-W020703, FC03781, 2-Pyrimidinol, 1,6-dihydro-6-imino-, CAS-71-30-7, SRI-2354-05, NCGC00247019-01, NCGC00255926-01, 66398-98-9, 66460-19-3, BP-20183, Cytosine, Vetec(TM) reagent grade, 99%, NCI60_012445, SY001643, 4-imino-3,4-dihydropyrimidin-2(1H)-one, DB-029615, DB-268893, DB-268963, DB-271170, DB-271171, DB-295125, LAMIVUDINE IMPURITY E [EP IMPURITY], LAMIVUDINE IMPURITY C [USP IMPURITY], NS00006844, ST45026865, EN300-21504, C00380, 2-Pyrimidinol,1,6-dihydro-6-imino-,(E)-(9ci), F036359, Q178425, Lamivudine EP Impurity E; Gemcitabine EP Impurity A, 2(1H)-Pyrimidinone,3,4-dihydro-4-imino-,(E)-(9ci), CBA1D098-C5AB-46CE-AAC6-754572886EB2, Z203045338, Cytosine, United States Pharmacopeia (USP) Reference Standard, Cytosine, Pharmaceutical Secondary Standard; Certified Reference Material, Gemcitabine impurity A, European Pharmacopoeia (EP) Reference Standard, 66460-16-0
Theoretical properties:
molecular_formula: C4H5N3O
molecular_weight: 111.10 g/mol
exact_mass: 111.043261792 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 67.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: > 300 °C
solubility: 8.0 mg/mL
vapor_pressure: 0.00109 [mmHg]
Descriptions:
pubchem: Cytosine is an aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine.
chebi: An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4.
chembl: CYTOSINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Cytosine (symbol C or Cyt) is one of the four nucleotide bases found in DNA and RNA, along with adenine, guanine, and thymine (uracil in RNA). It is a pyrimidine derivative, with a heterocyclic aromatic ring and two substituents attached (an amine group at position 4 and a keto group at position 2). The nucleoside of cytosine is cytidine.  In Watson–Crick base pairing, it forms three hydrogen bonds with guanine.