3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

C7H7Cl2N3O2 — CID 114582962

IUPAC3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c8-5-6(9)11-3-12(7(5)14)2-1-4(10)13/h3H,1-2H2,(H2,10,13)
InChIKeyJARIQRFSTMYOCC-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.43
Rot. Bonds3

About 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582962) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582962
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c8-5-6(9)11-3-12(7(5)14)2-1-4(10)13/h3H,1-2H2,(H2,10,13)
InChIKeyJARIQRFSTMYOCC-UHFFFAOYSA-N
XLogP0.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide 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 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (CID 114582962) is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is NC(=O)CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is JARIQRFSTMYOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c8-5-6(9)11-3-12(7(5)14)2-1-4(10)13/h3H,1-2H2,(H2,10,13).
What are the key properties of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 236.06 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114582962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).