2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide

C20H26ClN3O3 — CID 51368613

IUPAC2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO
InChIInChI=1S/C20H26ClN3O3/c1-13(2)8-10-22-18(26)12-24-19(15-4-6-16(21)7-5-15)23-14(3)17(9-11-25)20(24)27/h4-7,13,25H,8-12H2,1-3H3,(H,22,26)
InChIKeyUOGRJWJPBFMLBA-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide

2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 51368613) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID51368613
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO
InChIInChI=1S/C20H26ClN3O3/c1-13(2)8-10-22-18(26)12-24-19(15-4-6-16(21)7-5-15)23-14(3)17(9-11-25)20(24)27/h4-7,13,25H,8-12H2,1-3H3,(H,22,26)
InChIKeyUOGRJWJPBFMLBA-UHFFFAOYSA-N
XLogP2.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide 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 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide (CID 51368613) is 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide is Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is UOGRJWJPBFMLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-13(2)8-10-22-18(26)12-24-19(15-4-6-16(21)7-5-15)23-14(3)17(9-11-25)20(24)27/h4-7,13,25H,8-12H2,1-3H3,(H,22,26).
What are the key properties of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide?
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 391.90 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 51368613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).