2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one

C21H21ClN2O3 — CID 91912089

IUPAC2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
SMILESCOc1ccccc1Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O
InChIInChI=1S/C21H21ClN2O3/c1-14-18(10-11-25)21(26)24(13-16-6-3-4-9-19(16)27-2)20(23-14)15-7-5-8-17(22)12-15/h3-9,12,25H,10-11,13H2,1-2H3
InChIKeyLLHCXKMYXJEIDI-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.46
Rot. Bonds6

About 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one

2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 91912089) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
PubChem CID91912089
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
SMILESCOc1ccccc1Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O
InChIInChI=1S/C21H21ClN2O3/c1-14-18(10-11-25)21(26)24(13-16-6-3-4-9-19(16)27-2)20(23-14)15-7-5-8-17(22)12-15/h3-9,12,25H,10-11,13H2,1-2H3
InChIKeyLLHCXKMYXJEIDI-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-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-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51369001
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 51368933
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 95185819
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 91911995
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921
3-[(2,4-difluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 91912004
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 51369032
5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
CID 53191834
N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368967
3-[(3-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 53191837
N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369046
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 51368604

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one (CID 91912089) is 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one is COc1ccccc1Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O.
What is the InChIKey of 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is LLHCXKMYXJEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-14-18(10-11-25)21(26)24(13-16-6-3-4-9-19(16)27-2)20(23-14)15-7-5-8-17(22)12-15/h3-9,12,25H,10-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 384.86 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 91912089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).