Chemical Component Summary

Name6-AMINOPYRIMIDIN-2(1H)-ONE
SynonymsCYTOSINE
Identifiers4-amino-3H-pyrimidin-2-one
FormulaC4 H5 N3 O
Molecular Weight111.102
TypeNON-POLYMER
Isomeric SMILESC1=C(NC(=O)N=C1)N
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKeyOPTASPLRGRRNAP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 597, 5274263
ChEMBL CHEMBL15913
ChEBI CHEBI:16040
CCDC/CSD CYTOSM12, CYTOSC04, CUKDAO, CYTOSM14, AMASUD, BUPMAB, CIHFEH, CYTSIN01, CYTOSM03, CYTFGL, EPAMAK, EFUNOJ, CYTOSM11, CIRVUV, CUKCUH, CIRWAC, CYTOSM13, CUVDUT, DOTGID, CUVDON, CYTOSM15, DUJCAN, CUVDUT01, CYTOSC, CYTSPD, CASCIJ, CYTSIN02, CTSGLM, DAVNEW, CUVDIH01, ACITEM, ADALAS, BADFOC, DCYTCA10, DUJCAN01, CYTOSM02, DAVPUO, DOTGOJ, EFUNUP, CYTSCA, CYTSIN, CYTZNC, CUVDIH, CYTCUC, DAVPOI, CYTOSM17
COD 4502583, 2019803