4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one

C15H18N2O — CID 135418931

IUPAC4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-4-6-13-11(3)16-14(17-15(13)18)12-8-5-7-10(2)9-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,18)
InChIKeyJIBIEJGDSKGGAD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.01
Rot. Bonds3

About 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one

4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 135418931) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID135418931
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-4-6-13-11(3)16-14(17-15(13)18)12-8-5-7-10(2)9-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,18)
InChIKeyJIBIEJGDSKGGAD-UHFFFAOYSA-N
XLogP3.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(3-methylphenyl)-5-propyl-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

3-[2-(3-hydroxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 136889147
5-butyl-2-[3-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-methyl-1H-pyrimidin-6-one
CID 135906350
2-(3,4-dihydroxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 136889104
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136888703
2-(3-methylphenyl)-1H-benzo[f]benzimidazole-4,9-dione
CID 122368189
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 83893681
4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155363926
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 135965594
5-(4-ethylphenyl)-2-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888109

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one (CID 135418931) is 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(-c2cccc(C)c2)[nH]c1=O.
What is the InChIKey of 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is JIBIEJGDSKGGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-6-13-11(3)16-14(17-15(13)18)12-8-5-7-10(2)9-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,18).
What are the key properties of 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).