4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one

C17H22N2O2 — CID 136770031

IUPAC4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(C)c(OC)cc2C)c(C)c(=O)[nH]1
InChIInChI=1S/C17H22N2O2/c1-6-7-15-18-16(12(4)17(20)19-15)13-8-11(3)14(21-5)9-10(13)2/h8-9H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyVREPDLMEGYNSIG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.32
Rot. Bonds4

About 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one

4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 136770031) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
PubChem CID136770031
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(C)c(OC)cc2C)c(C)c(=O)[nH]1
InChIInChI=1S/C17H22N2O2/c1-6-7-15-18-16(12(4)17(20)19-15)13-8-11(3)14(21-5)9-10(13)2/h8-9H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyVREPDLMEGYNSIG-UHFFFAOYSA-N
XLogP3.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769485
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692473
3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106521275
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105
6,7-difluoro-2-(4-methoxy-2,5-dimethylphenyl)-3H-quinazolin-4-one
CID 163404460
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 46998821

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one (CID 136770031) is 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2cc(C)c(OC)cc2C)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is VREPDLMEGYNSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-6-7-15-18-16(12(4)17(20)19-15)13-8-11(3)14(21-5)9-10(13)2/h8-9H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).