FDB

2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Created: 2014-01-15
Last modified:  2015-01-21

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count21
Aromatic Bond Count5
2D diagram of FDB

Chemical Component Summary

Name2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Systematic Name (OpenEye OEToolkits)2-azanyl-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
FormulaC7 H8 N4 O
Molecular Weight164.165
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1c2c(cnc2N=C(N)N1)C
SMILESCACTVS3.385Cc1c[nH]c2N=C(N)NC(=O)c12
SMILESOpenEye OEToolkits1.7.6Cc1c[nH]c2c1C(=O)NC(=N2)N
Canonical SMILESCACTVS3.385 Cc1c[nH]c2N=C(N)NC(=O)c12
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c[nH]c2c1C(=O)NC(=N2)N
InChIInChI1.03 InChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12)
InChIKeyInChI1.03 AYVRAXSWHNOEEQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 596364, 135520243
ChEMBL CHEMBL3318499