2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

C8H10ClN3O2 — CID 114582367

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-11(2)8(14)4-12-5-10-6(9)3-7(12)13/h3,5H,4H2,1-2H3
InChIKeyGSJFXVACTKFZSY-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.02
Rot. Bonds2

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 114582367) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID114582367
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-11(2)8(14)4-12-5-10-6(9)3-7(12)13/h3,5H,4H2,1-2H3
InChIKeyGSJFXVACTKFZSY-UHFFFAOYSA-N
XLogP-0.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
CID 114582152
2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-ynylacetamide
CID 114582322
6-chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582214
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582039
6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582159
6-chloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114582170
6-chloro-3-(3-ethoxypropyl)pyrimidin-4-one
CID 114582300
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023
6-chloro-3-[(3,5-dimethylphenyl)methyl]pyrimidin-4-one
CID 114582049
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
6-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 114582219

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 114582367) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is GSJFXVACTKFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-11(2)8(14)4-12-5-10-6(9)3-7(12)13/h3,5H,4H2,1-2H3.
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 215.64 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 114582367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).