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

C13H18ClN3O2 — CID 114582116

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C13H18ClN3O2/c1-9(17-8-15-11(14)7-12(17)18)13(19)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,19)
InChIKeyWVKNXSUYQMCXQQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.91
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (PubChem CID 114582116) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
PubChem CID114582116
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C13H18ClN3O2/c1-9(17-8-15-11(14)7-12(17)18)13(19)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,19)
InChIKeyWVKNXSUYQMCXQQ-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
3-[2-(Cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 62562547
3-[2-(Cyclohexylamino)ethyl]pyrimidin-4-one
CID 63795614
N-cyclohexyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375765
N-cyclohexyl-2-(6-oxopyrimidin-1(6H)-yl)acetamide
CID 95921860
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (CID 114582116) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The InChIKey is WVKNXSUYQMCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9(17-8-15-11(14)7-12(17)18)13(19)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,19).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide has a molecular weight of 283.76 g/mol, XLogP of 1.91, 3 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-cyclohexylpropanamide is sourced from PubChem (CID 114582116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).