2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide

C8H10ClN3O3 — CID 114585126

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C8H10ClN3O3/c1-10-5(13)3-12-4-11-7(9)6(15-2)8(12)14/h4H,3H2,1-2H3,(H,10,13)
InChIKeyQURYTFHMHGBVRB-UHFFFAOYSA-N
MW231.64 g/mol
LogP-0.35
Rot. Bonds3

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 114585126) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID114585126
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C8H10ClN3O3/c1-10-5(13)3-12-4-11-7(9)6(15-2)8(12)14/h4H,3H2,1-2H3,(H,10,13)
InChIKeyQURYTFHMHGBVRB-UHFFFAOYSA-N
XLogP-0.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide 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-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 114585126) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is QURYTFHMHGBVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-10-5(13)3-12-4-11-7(9)6(15-2)8(12)14/h4H,3H2,1-2H3,(H,10,13).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 231.64 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 114585126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).