Compound: Isocytosine
SMILES: O=c1[nH]c(ncc1)N
InChIKey: XQCZBXHVTFVIFE-UHFFFAOYSA-N
Synonyms: Isocytosine, 2-aminopyrimidin-4-ol, 108-53-2, 2-Amino-4-hydroxypyrimidine, 2-Amino-4-pyrimdinol, 2-Amino-4-pyrimidone, 2-Amino-4-oxypyrimidine, CHEBI:55502, DTXSID00148350, RefChem:149245, DTXCID2070841, 203-592-0, 100643-25-2, 2-aminopyrimidin-4(1H)-one, 4-Pyrimidinol, 2-amino-, 674-97-5, 2-amino-1H-pyrimidin-6-one, 4(1H)-Pyrimidinone, 2-amino-, 2-AMINO-3,4-DIHYDROPYRIMIDIN-4-ONE, 4(3H)-Pyrimidinone, 2-amino-, 2-amino-4-pyrimidinol, 2-Aminouracil, MFCD00057557, 4-Pyrimidinol, 2-amino- (9CI), 2-aminopyrimidin-4(3H)-one, Iso Cytosine, 2-amino-1,4-dihydropyrimidin-4-one, MFCD00023256, NSC 49118, 155831-92-8, 155831-94-0, 107646-85-5, 155831-93-9, 145358-63-0, Isocytosine (VAN), isocytosin, 2-Amino-4(1H)-pyrimidinone, 4-Pyrimidinol, 1,2-dihydro-2-imino- (9CI), 4-Pyrimidinol, 2,3-dihydro-2-imino- (9CI), EINECS 203-592-0, 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino- (9CI), 4-Pyrimidinol, 1,2-dihydro-2-imino-, (Z)- (9CI), 4-Pyrimidinol, 2,3-dihydro-2-imino-, (E)- (9CI), 4-Pyrimidinol, 2,3-dihydro-2-imino-, (Z)- (9CI), 107646-87-7, 176773-00-5, 176773-01-6, 176773-02-7, 2-Amino-4-pyrimidol, 2-Imino-6-pyrimidinon, 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (E)- (9CI), 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (Z)- (9CI), Isocytosine, >=99%, AI3-52238, Epitope ID:119698, SCHEMBL4825, 2-amino-1H-pyrimidin-4-one, CHEMBL56260, SCHEMBL121555, SCHEMBL159805, SCHEMBL508677, SCHEMBL855933, SCHEMBL907967, 2-Amino-3H-pyrimidin-4-one, orb3029593, SCHEMBL1042514, SCHEMBL6415217, SCHEMBL8852643, SCHEMBL8920730, 2-amino-3-hydropyrimidin-4-one, pyrimidine, 2-amino-4-hydroxy-, 2-Amino-4(1H)-pyrimidinone #, NSC49118, NSC-49118, s6256, 1,4-dihydro-2-amino-4-oxopyrimidine, AKOS010519665, AKOS015854926, AKOS016034248, CS-W002272, DS-0256, EBC-152188, FI07235, HY-W002272, PB29007, SB10360, SB57721, SY013450, 2-Amino-4-hydroxypyrimidine, 2-Aminouracil, DB-016150, DB-272045, DB-272064, DB-272200, DB-272856, DB-272859, DB-346942, CS-0166939, I0814, NS00015768, ST50974934, EN300-64686, 4-PYRIMIDINOL, 1,2-DIHYDRO-2-IMINO-, 4-PYRIMIDINOL, 2,3-DIHYDRO-2-IMINO-, H10127, AC-907/25004299, F690866, 4(1H)-PYRIMIDINONE, 2,3-DIHYDRO-2-IMINO-, Q10859790, 4(1H)-Pyrimidinone,2,3-dihydro-2-imino-,(E)-(9ci), Z801295650, InChI=1/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8, 176772-97-7
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:
Descriptions:
pubchem: 2-amino-4-hydroxypyrimidine is an aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine.
chebi: An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isocytosine or 2-aminouracil is a pyrimidine base that is an isomer of cytosine. The nucleoside form is called isocytidine (iC).
It is used in combination with isoguanine in studies of unnatural nucleic acid analogues of the normal base pairs in DNA. In particular, it is used as a nucleobase of hachimoji RNA with the abbreviation rS.