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

C24H26ClN3O3 — CID 51369032

IUPAC2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1C
InChIInChI=1S/C24H26ClN3O3/c1-15-7-8-18(11-16(15)2)13-26-22(30)14-28-23(19-5-4-6-20(25)12-19)27-17(3)21(9-10-29)24(28)31/h4-8,11-12,29H,9-10,13-14H2,1-3H3,(H,26,30)
InChIKeyVWSSGSVTYKPOML-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.34
Rot. Bonds7

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

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide (PubChem CID 51369032) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
PubChem CID51369032
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1C
InChIInChI=1S/C24H26ClN3O3/c1-15-7-8-18(11-16(15)2)13-26-22(30)14-28-23(19-5-4-6-20(25)12-19)27-17(3)21(9-10-29)24(28)31/h4-8,11-12,29H,9-10,13-14H2,1-3H3,(H,26,30)
InChIKeyVWSSGSVTYKPOML-UHFFFAOYSA-N
XLogP3.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide (CID 51369032) is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1C.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
The InChIKey is VWSSGSVTYKPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-15-7-8-18(11-16(15)2)13-26-22(30)14-28-23(19-5-4-6-20(25)12-19)27-17(3)21(9-10-29)24(28)31/h4-8,11-12,29H,9-10,13-14H2,1-3H3,(H,26,30).
What are the key properties of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide has a molecular weight of 439.94 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 51369032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).