2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide

C13H19ClN4O2 — CID 114582484

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESNc1c(Cl)ncn(CC(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C13H19ClN4O2/c14-12-11(15)13(20)18(8-16-12)7-10(19)17-9-5-3-1-2-4-6-9/h8-9H,1-7,15H2,(H,17,19)
InChIKeyRYBIKZPULSXZKR-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.32
Rot. Bonds3

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (PubChem CID 114582484) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
PubChem CID114582484
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESNc1c(Cl)ncn(CC(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C13H19ClN4O2/c14-12-11(15)13(20)18(8-16-12)7-10(19)17-9-5-3-1-2-4-6-9/h8-9H,1-7,15H2,(H,17,19)
InChIKeyRYBIKZPULSXZKR-UHFFFAOYSA-N
XLogP1.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide 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-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308214
N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340424
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
5-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]-6-chloropyrimidin-4-one
CID 113604272
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (CID 114582484) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide is Nc1c(Cl)ncn(CC(=O)NC2CCCCCC2)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The InChIKey is RYBIKZPULSXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c14-12-11(15)13(20)18(8-16-12)7-10(19)17-9-5-3-1-2-4-6-9/h8-9H,1-7,15H2,(H,17,19).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide has a molecular weight of 298.77 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 114582484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).