2-(4-chloro-6-oxopyrimidin-1-yl)acetamide

C6H6ClN3O2 — CID 114582191

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C6H6ClN3O2/c7-4-1-6(12)10(3-9-4)2-5(8)11/h1,3H,2H2,(H2,8,11)
InChIKeyHVWPWYACSUWFBP-UHFFFAOYSA-N
MW187.59 g/mol
LogP-0.62
Rot. Bonds2

About 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide

2-(4-chloro-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114582191) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
PubChem CID114582191
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C6H6ClN3O2/c7-4-1-6(12)10(3-9-4)2-5(8)11/h1,3H,2H2,(H2,8,11)
InChIKeyHVWPWYACSUWFBP-UHFFFAOYSA-N
XLogP-0.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-6-oxopyrimidin-1-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-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide (CID 114582191) is 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide is NC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HVWPWYACSUWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c7-4-1-6(12)10(3-9-4)2-5(8)11/h1,3H,2H2,(H2,8,11).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 187.59 g/mol, XLogP of -0.62, 2 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)acetamide is sourced from PubChem (CID 114582191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).