2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

C14H13N3O — CID 14615882

IUPAC2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c[nH]c2nc(C)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C14H13N3O/c1-9-8-15-13-12(9)14(18)17(10(2)16-13)11-6-4-3-5-7-11/h3-8,15H,1-2H3
InChIKeyUPXUMGSNPBLCCG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds1

About 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 14615882) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID14615882
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c[nH]c2nc(C)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C14H13N3O/c1-9-8-15-13-12(9)14(18)17(10(2)16-13)11-6-4-3-5-7-11/h3-8,15H,1-2H3
InChIKeyUPXUMGSNPBLCCG-UHFFFAOYSA-N
XLogP2.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,7-trimethyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
CID 134914470
2,5,6-trimethyl-3-(4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 14118251
3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;sulfane
CID 162094545
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2-amino-4-[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethylamino]-6-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 134427672
2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 13350199
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one
CID 175045134
7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride
CID 10543398
3-(4-ethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 22425555
3-[(1S)-1-[(2-fluoro-7H-purin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;sulfane
CID 159142038

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 14615882) is 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1c[nH]c2nc(C)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is UPXUMGSNPBLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-8-15-13-12(9)14(18)17(10(2)16-13)11-6-4-3-5-7-11/h3-8,15H,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 239.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 14615882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).