2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide

C12H16ClN3O2 — CID 114582279

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C12H16ClN3O2/c1-8(12(18)15-9-4-2-3-5-9)16-7-14-10(13)6-11(16)17/h6-9H,2-5H2,1H3,(H,15,18)
InChIKeyUQAJNXALJMSZMB-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide (PubChem CID 114582279) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
PubChem CID114582279
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C12H16ClN3O2/c1-8(12(18)15-9-4-2-3-5-9)16-7-14-10(13)6-11(16)17/h6-9H,2-5H2,1H3,(H,15,18)
InChIKeyUQAJNXALJMSZMB-UHFFFAOYSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide 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

N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496937
N-cyclopentyl-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
CID 56764424
3-[2-(Cyclopentylamino)ethyl]-6-methylpyrimidin-4-one
CID 62562548
N-cyclopentyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375274
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide (CID 114582279) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide?
The InChIKey is UQAJNXALJMSZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(12(18)15-9-4-2-3-5-9)16-7-14-10(13)6-11(16)17/h6-9H,2-5H2,1H3,(H,15,18).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide has a molecular weight of 269.73 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 114582279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).