4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C16H20N2O — CID 136691706

IUPAC4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(-c2nc(C(C)C)[nH]c(=O)c2C)c1
InChIInChI=1S/C16H20N2O/c1-9(2)15-17-14(12(5)16(19)18-15)13-7-10(3)6-11(4)8-13/h6-9H,1-5H3,(H,17,18,19)
InChIKeyNFLNCCNJSTWIHF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds2

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

4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136691706) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136691706
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(-c2nc(C(C)C)[nH]c(=O)c2C)c1
InChIInChI=1S/C16H20N2O/c1-9(2)15-17-14(12(5)16(19)18-15)13-7-10(3)6-11(4)8-13/h6-9H,1-5H3,(H,17,18,19)
InChIKeyNFLNCCNJSTWIHF-UHFFFAOYSA-N
XLogP3.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-dimethylphenyl)-5-methyl-2-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

4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769733
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
CID 165134582

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136691706) is 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(C)cc(-c2nc(C(C)C)[nH]c(=O)c2C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NFLNCCNJSTWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-9(2)15-17-14(12(5)16(19)18-15)13-7-10(3)6-11(4)8-13/h6-9H,1-5H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 256.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).