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

C12H18ClN3O2 — CID 114581636

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-5-15(6-2)12(18)8(3)16-9(4)14-10(13)7-11(16)17/h7-8H,5-6H2,1-4H3
InChIKeyUOIKCARWLVGOGL-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.63
Rot. Bonds4

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide (PubChem CID 114581636) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
PubChem CID114581636
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-5-15(6-2)12(18)8(3)16-9(4)14-10(13)7-11(16)17/h7-8H,5-6H2,1-4H3
InChIKeyUOIKCARWLVGOGL-UHFFFAOYSA-N
XLogP1.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502
N-tert-butyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604526
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604530

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide (CID 114581636) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The InChIKey is UOIKCARWLVGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-5-15(6-2)12(18)8(3)16-9(4)14-10(13)7-11(16)17/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide has a molecular weight of 271.75 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 114581636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).