7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one

C15H13N7O — CID 156654187

IUPAC7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one
SMILESCc1cc2nnccc2cc1Nc1ncc2c(n1)[nH]c(=O)n2C
InChIInChI=1S/C15H13N7O/c1-8-5-11-9(3-4-17-21-11)6-10(8)18-14-16-7-12-13(19-14)20-15(23)22(12)2/h3-7H,1-2H3,(H2,16,18,19,20,23)
InChIKeyFDMPCFXWMFILOA-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.65
Rot. Bonds2

About 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one

7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one (PubChem CID 156654187) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one.

Molecular Properties

Compound Name7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one
PubChem CID156654187
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one
SMILESCc1cc2nnccc2cc1Nc1ncc2c(n1)[nH]c(=O)n2C
InChIInChI=1S/C15H13N7O/c1-8-5-11-9(3-4-17-21-11)6-10(8)18-14-16-7-12-13(19-14)20-15(23)22(12)2/h3-7H,1-2H3,(H2,16,18,19,20,23)
InChIKeyFDMPCFXWMFILOA-UHFFFAOYSA-N
XLogP1.65
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9-(oxan-3-yl)purin-8-one
CID 146275575
2-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)amino]-7-methyl-9H-purin-8-one
CID 156572682
2,7-dimethyl-9H-purin-8-one
CID 170617513
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-pyrrolidin-3-yl]purin-8-one
CID 146273873
9-(4-hydroxy-4-methylcyclohexyl)-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 159157917
9-(1,1-dimethylthiepan-4-yl)-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919004
9-[(3S)-3-fluoro-1-bicyclo[2.1.1]hexanyl]-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919108
8-[(3S)-3-fluoro-1-bicyclo[2.1.0]pentanyl]-5-methyl-2-[(7-methylquinolin-6-yl)amino]-7H-pteridin-6-one
CID 177194160
1,6-dimethyl-3H-imidazo[4,5-b]pyridin-2-one
CID 14929590
2-(4-methoxycyclohexyl)-7-methyl-9H-purin-8-one
CID 156776401
2-(4,5-difluoro-2-methylanilino)-7-methyl-9-(thiolan-3-yl)purin-8-one;propane
CID 176918891

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one?
The IUPAC name of 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one (CID 156654187) is 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one.
What is the SMILES notation for 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one?
The canonical SMILES for 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one is Cc1cc2nnccc2cc1Nc1ncc2c(n1)[nH]c(=O)n2C.
What is the InChIKey of 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one?
The InChIKey is FDMPCFXWMFILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-8-5-11-9(3-4-17-21-11)6-10(8)18-14-16-7-12-13(19-14)20-15(23)22(12)2/h3-7H,1-2H3,(H2,16,18,19,20,23).
What are the key properties of 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one?
7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one has a molecular weight of 307.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9H-purin-8-one is sourced from PubChem (CID 156654187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).