6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one

C12H11ClN2O2 — CID 106518997

IUPAC6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one
SMILESCOc1cc(-c2[nH]c(=O)ncc2C)ccc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-7-6-14-12(16)15-11(7)8-3-4-9(13)10(5-8)17-2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyDNNTVSPVYIDXAA-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.41
Rot. Bonds2

About 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one

6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one (PubChem CID 106518997) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one
PubChem CID106518997
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one
SMILESCOc1cc(-c2[nH]c(=O)ncc2C)ccc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-7-6-14-12(16)15-11(7)8-3-4-9(13)10(5-8)17-2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyDNNTVSPVYIDXAA-UHFFFAOYSA-N
XLogP2.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one (CID 106518997) is 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one is COc1cc(-c2[nH]c(=O)ncc2C)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one?
The InChIKey is DNNTVSPVYIDXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-6-14-12(16)15-11(7)8-3-4-9(13)10(5-8)17-2/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one?
6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one has a molecular weight of 250.69 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106518997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).