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

C9H12ClN3O2 — CID 114582097

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-6(9(15)12(2)3)13-5-11-7(10)4-8(13)14/h4-6H,1-3H3
InChIKeyVLURVEOZJJOOTQ-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.55
Rot. Bonds2

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114582097) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114582097
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-6(9(15)12(2)3)13-5-11-7(10)4-8(13)14/h4-6H,1-3H3
InChIKeyVLURVEOZJJOOTQ-UHFFFAOYSA-N
XLogP0.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
6-Chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604227
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604367

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114582097) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is VLURVEOZJJOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6(9(15)12(2)3)13-5-11-7(10)4-8(13)14/h4-6H,1-3H3.
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.55, 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-dimethylpropanamide is sourced from PubChem (CID 114582097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).