2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione

C13H11N7O2 — CID 146257759

IUPAC2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCN1Cn2c(ccc(Nc3ncnc4nc[nH]c34)c2=O)C1=O
InChIInChI=1S/C13H11N7O2/c1-19-6-20-8(13(19)22)3-2-7(12(20)21)18-11-9-10(15-4-14-9)16-5-17-11/h2-5H,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyVFZFNOBGRZSNMT-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.30
Rot. Bonds2

About 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione

2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 146257759) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID146257759
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCN1Cn2c(ccc(Nc3ncnc4nc[nH]c34)c2=O)C1=O
InChIInChI=1S/C13H11N7O2/c1-19-6-20-8(13(19)22)3-2-7(12(20)21)18-11-9-10(15-4-14-9)16-5-17-11/h2-5H,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyVFZFNOBGRZSNMT-UHFFFAOYSA-N
XLogP0.30
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-ethynyl-7H-purin-6-amine
CID 149150295
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione (CID 146257759) is 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione is CN1Cn2c(ccc(Nc3ncnc4nc[nH]c34)c2=O)C1=O.
What is the InChIKey of 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is VFZFNOBGRZSNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c1-19-6-20-8(13(19)22)3-2-7(12(20)21)18-11-9-10(15-4-14-9)16-5-17-11/h2-5H,6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione?
2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 297.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(7H-purin-6-ylamino)-3H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 146257759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).