2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one

C14H14N4O — CID 137254705

IUPAC2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one
SMILESCc1nc2nc(C)n(-c3ccccc3C)c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O/c1-8-6-4-5-7-11(8)18-10(3)17-13-12(18)14(19)16-9(2)15-13/h4-7H,1-3H3,(H,15,16,19)
InChIKeyINONTLKNVHJPKA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.03
Rot. Bonds1

About 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one

2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one (PubChem CID 137254705) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one.

Molecular Properties

Compound Name2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one
PubChem CID137254705
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one
SMILESCc1nc2nc(C)n(-c3ccccc3C)c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O/c1-8-6-4-5-7-11(8)18-10(3)17-13-12(18)14(19)16-9(2)15-13/h4-7H,1-3H3,(H,15,16,19)
InChIKeyINONTLKNVHJPKA-UHFFFAOYSA-N
XLogP2.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932661
4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one
CID 137254646
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one
CID 58345705
2-methyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 135436386
1-(2-methylphenyl)quinazolin-2-one
CID 150398813
4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 167528276
4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole
CID 134857704
7-(4-chlorophenyl)-2-methyl-1H-purin-6-one
CID 137254763
2-methyl-3-(2-methylphenyl)pyrimidin-4-one;bis(propan-2-ol)
CID 161354189
5,6-dimethyl-3-(2-methylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 2412409

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one?
The IUPAC name of 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one (CID 137254705) is 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one.
What is the SMILES notation for 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one?
The canonical SMILES for 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one is Cc1nc2nc(C)n(-c3ccccc3C)c2c(=O)[nH]1.
What is the InChIKey of 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one?
The InChIKey is INONTLKNVHJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-6-4-5-7-11(8)18-10(3)17-13-12(18)14(19)16-9(2)15-13/h4-7H,1-3H3,(H,15,16,19).
What are the key properties of 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one?
2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one has a molecular weight of 254.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one is sourced from PubChem (CID 137254705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).