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

C11H16ClN3O2 — CID 114582063

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-4-14(5-2)11(17)8(3)15-7-13-9(12)6-10(15)16/h6-8H,4-5H2,1-3H3
InChIKeyDNWDWJWUQLYUPI-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.33
Rot. Bonds4

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide (PubChem CID 114582063) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
PubChem CID114582063
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-4-14(5-2)11(17)8(3)15-7-13-9(12)6-10(15)16/h6-8H,4-5H2,1-3H3
InChIKeyDNWDWJWUQLYUPI-UHFFFAOYSA-N
XLogP1.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.33
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
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-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
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
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604367
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604425

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide (CID 114582063) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The InChIKey is DNWDWJWUQLYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-4-14(5-2)11(17)8(3)15-7-13-9(12)6-10(15)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.33, 4 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-diethylpropanamide is sourced from PubChem (CID 114582063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).