2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide

C20H19ClN4O2 — CID 134290326

IUPAC2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide
SMILESCc1c(Cl)cccc1Nc1nc(=O)c(CC(N)=O)cn1Cc1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-13-16(21)8-5-9-17(13)23-20-24-19(27)15(10-18(22)26)12-25(20)11-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,22,26)(H,23,24,27)
InChIKeyZAKYEOOYGHDWBD-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.02
Rot. Bonds6

About 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide

2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide (PubChem CID 134290326) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide
PubChem CID134290326
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide
SMILESCc1c(Cl)cccc1Nc1nc(=O)c(CC(N)=O)cn1Cc1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-13-16(21)8-5-9-17(13)23-20-24-19(27)15(10-18(22)26)12-25(20)11-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,22,26)(H,23,24,27)
InChIKeyZAKYEOOYGHDWBD-UHFFFAOYSA-N
XLogP3.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]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-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide?
The IUPAC name of 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide (CID 134290326) is 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide is Cc1c(Cl)cccc1Nc1nc(=O)c(CC(N)=O)cn1Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide?
The InChIKey is ZAKYEOOYGHDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-16(21)8-5-9-17(13)23-20-24-19(27)15(10-18(22)26)12-25(20)11-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,22,26)(H,23,24,27).
What are the key properties of 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide?
2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide has a molecular weight of 382.85 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide is sourced from PubChem (CID 134290326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).