3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C10H13ClN4O2 — CID 114582647

IUPAC3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESNc1c(Cl)ncn(CCC(=O)NC2CC2)c1=O
InChIInChI=1S/C10H13ClN4O2/c11-9-8(12)10(17)15(5-13-9)4-3-7(16)14-6-1-2-6/h5-6H,1-4,12H2,(H,14,16)
InChIKeyUCIKLFZGTSPKPS-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.15
Rot. Bonds4

About 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114582647) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114582647
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESNc1c(Cl)ncn(CCC(=O)NC2CC2)c1=O
InChIInChI=1S/C10H13ClN4O2/c11-9-8(12)10(17)15(5-13-9)4-3-7(16)14-6-1-2-6/h5-6H,1-4,12H2,(H,14,16)
InChIKeyUCIKLFZGTSPKPS-UHFFFAOYSA-N
XLogP0.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide 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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
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
3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582208
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582349
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582410
3-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582464
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114582480
2-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582492

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114582647) is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is Nc1c(Cl)ncn(CCC(=O)NC2CC2)c1=O.
What is the InChIKey of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is UCIKLFZGTSPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-9-8(12)10(17)15(5-13-9)4-3-7(16)14-6-1-2-6/h5-6H,1-4,12H2,(H,14,16).
What are the key properties of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 256.69 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114582647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).