N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide

C13H19N3O2 — CID 39892134

IUPACN-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1CCCCC1
InChIInChI=1S/C13H19N3O2/c17-12(10-16-8-4-7-14-13(16)18)15-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,17)
InChIKeyGXQDXIKUQXFHRI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39892134) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39892134
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1CCCCC1
InChIInChI=1S/C13H19N3O2/c17-12(10-16-8-4-7-14-13(16)18)15-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,17)
InChIKeyGXQDXIKUQXFHRI-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-diethylcyclohexyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetamide
CID 169687200
N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39004583
n-Cycloheptyl-2-(2-oxopyrimidin-1(2h)-yl)acetamide
CID 39004981
N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39005501
N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43073171
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51097113
1-[2-(Cyclohexylmethylamino)ethyl]pyrimidin-2-one
CID 55134263
1-[2-[(4-Methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 62562052
1-[2-[(2-Methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 62562404
1-[2-[(3-Methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 62563637
1-[2-(Cyclopentylmethylamino)ethyl]pyrimidin-2-one
CID 62563804
N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 65113948

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 39892134) is N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is GXQDXIKUQXFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(10-16-8-4-7-14-13(16)18)15-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,17).
What are the key properties of N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39892134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).