N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide

C13H19N3O2 — CID 39005501

IUPACN-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C13H19N3O2/c1-10-3-5-11(6-4-10)15-12(17)9-16-8-2-7-14-13(16)18/h2,7-8,10-11H,3-6,9H2,1H3,(H,15,17)
InChIKeySPARBDKQDZHVJB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39005501) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39005501
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C13H19N3O2/c1-10-3-5-11(6-4-10)15-12(17)9-16-8-2-7-14-13(16)18/h2,7-8,10-11H,3-6,9H2,1H3,(H,15,17)
InChIKeySPARBDKQDZHVJB-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 39005501) is N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC1CCC(NC(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is SPARBDKQDZHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-3-5-11(6-4-10)15-12(17)9-16-8-2-7-14-13(16)18/h2,7-8,10-11H,3-6,9H2,1H3,(H,15,17).
What are the key properties of N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39005501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).