2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one

C17H15N3O — CID 136914532

IUPAC2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cnc(-c2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C17H15N3O/c1-11-8-12(2)16(18-10-11)17-19-14(9-15(21)20-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20,21)
InChIKeyBOKYDUZKRXFTGH-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.12
Rot. Bonds2

About 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one

2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136914532) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136914532
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cnc(-c2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C17H15N3O/c1-11-8-12(2)16(18-10-11)17-19-14(9-15(21)20-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20,21)
InChIKeyBOKYDUZKRXFTGH-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136914590
3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine
CID 140847672
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136955770
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135577957
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
2-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 135848229

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one (CID 136914532) is 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one is Cc1cnc(-c2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is BOKYDUZKRXFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-8-12(2)16(18-10-11)17-19-14(9-15(21)20-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one?
2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136914532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).