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

C13H14N2O2 — CID 136955442

IUPAC4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2nc(C)[nH]c(=O)c2C)c1
InChIInChI=1S/C13H14N2O2/c1-8-12(14-9(2)15-13(8)16)10-5-4-6-11(7-10)17-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyGXZQZJICVZNEIC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds2

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

4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136955442) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136955442
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2nc(C)[nH]c(=O)c2C)c1
InChIInChI=1S/C13H14N2O2/c1-8-12(14-9(2)15-13(8)16)10-5-4-6-11(7-10)17-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyGXZQZJICVZNEIC-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxyphenyl)-2,5-dimethyl-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-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136769843
5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868102

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 136955442) is 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one is COc1cccc(-c2nc(C)[nH]c(=O)c2C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is GXZQZJICVZNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-12(14-9(2)15-13(8)16)10-5-4-6-11(7-10)17-3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).