2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

C15H17ClN2O — CID 136873133

IUPAC2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(C)c(C(C)C)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C15H17ClN2O/c1-8(2)13-10(4)17-14(18-15(13)19)11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,18,19)
InChIKeyXVIRACYJXKNAJS-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.83
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136873133) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136873133
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(C)c(C(C)C)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C15H17ClN2O/c1-8(2)13-10(4)17-14(18-15(13)19)11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,18,19)
InChIKeyXVIRACYJXKNAJS-UHFFFAOYSA-N
XLogP3.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-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-chloro-2-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136877714
4-tert-butyl-2-(3-chloro-4-methylphenyl)-5-iodo-1H-pyrimidin-6-one
CID 136873143
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 115565726
6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520374
2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216829
2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136954365
2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride
CID 22563322
5-(3-chloro-4-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 63194871

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 136873133) is 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is Cc1ccc(-c2nc(C)c(C(C)C)c(=O)[nH]2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XVIRACYJXKNAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-8(2)13-10(4)17-14(18-15(13)19)11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 276.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136873133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).