Q0K

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

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

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1 entries where Q0K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	11

2D diagram of Q0K

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Chemical Component Summary
Name	2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₁₃ H₁₂ N₄ O
Molecular Weight	240.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(cnc2N=C(N)N1)c3ccc(cc3)C
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2c[nH]c3N=C(N)NC(=O)c23
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)c2c[nH]c3N=C(N)NC(=O)c23
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N
InChI	InChI	1.03	InChI=1S/C13H12N4O/c1-7-2-4-8(5-3-7)9-6-15-11-10(9)12(18)17-13(14)16-11/h2-6H,1H3,(H4,14,15,16,17,18)
InChIKey	InChI	1.03	ZVGJANRRWBZTJO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566676, 86580350
ChEMBL	CHEMBL3318496

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