N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide

C13H19N3O2 — CID 113230937

IUPACN-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCCC2)c(=O)n1
InChIInChI=1S/C13H19N3O2/c1-10-7-8-16(13(18)14-10)9-12(17)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,17)
InChIKeyCLKXJVLMXBMDEW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds3

About N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide

N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 113230937) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID113230937
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCCC2)c(=O)n1
InChIInChI=1S/C13H19N3O2/c1-10-7-8-16(13(18)14-10)9-12(17)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,17)
InChIKeyCLKXJVLMXBMDEW-UHFFFAOYSA-N
XLogP1.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 46304534
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
CID 95143646
(2R)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
CID 95143647
N-cyclopentyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230936
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230939
1-[4-(Ethylamino)hexyl]-4-methylpyrimidin-2-one
CID 114217383
4-Methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one
CID 114217388
4-Methyl-1-[4-(propylamino)hexyl]pyrimidin-2-one
CID 114217389
4-Methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
1-[3-(Cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 115579447

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide (CID 113230937) is N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide is Cc1ccn(CC(=O)NC2CCCCC2)c(=O)n1.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is CLKXJVLMXBMDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-7-8-16(13(18)14-10)9-12(17)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 113230937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).