FDB

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

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

Find Related PDB Entry
1 entries where FDB is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	5

2D diagram of FDB

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-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
Formula	C₇ H₈ N₄ O
Molecular Weight	164.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(cnc2N=C(N)N1)C
SMILES	CACTVS	3.385	Cc1c[nH]c2N=C(N)NC(=O)c12
SMILES	OpenEye OEToolkits	1.7.6	Cc1c[nH]c2c1C(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.385	Cc1c[nH]c2N=C(N)NC(=O)c12
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c[nH]c2c1C(=O)NC(=N2)N
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	AYVRAXSWHNOEEQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135520243, 596364
ChEMBL	CHEMBL3318499

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.