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

C7H8ClN3O2 — CID 114582041

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C7H8ClN3O2/c1-9-6(12)3-11-4-10-5(8)2-7(11)13/h2,4H,3H2,1H3,(H,9,12)
InChIKeyXTZGRWRYHYPYIB-UHFFFAOYSA-N
MW201.61 g/mol
LogP-0.36
Rot. Bonds2

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 114582041) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID114582041
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C7H8ClN3O2/c1-9-6(12)3-11-4-10-5(8)2-7(11)13/h2,4H,3H2,1H3,(H,9,12)
InChIKeyXTZGRWRYHYPYIB-UHFFFAOYSA-N
XLogP-0.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-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

Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123
2-(5-amino-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 142232102
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
N-butyl-2-(6-oxopyrimidin-1-yl)acetamide
CID 95921861
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-propylacetamide
CID 113604633

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 114582041) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is XTZGRWRYHYPYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-9-6(12)3-11-4-10-5(8)2-7(11)13/h2,4H,3H2,1H3,(H,9,12).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 201.61 g/mol, XLogP of -0.36, 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)-N-methylacetamide is sourced from PubChem (CID 114582041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).