N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C13H19N3O2 — CID 131918052

IUPACN-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC1(CNC(=O)c2cnc[nH]c2=O)CCCCC1
InChIInChI=1S/C13H19N3O2/c1-13(5-3-2-4-6-13)8-15-11(17)10-7-14-9-16-12(10)18/h7,9H,2-6,8H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyMWTSGRLHTVGWFF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.47
Rot. Bonds3

About N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 131918052) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID131918052
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC1(CNC(=O)c2cnc[nH]c2=O)CCCCC1
InChIInChI=1S/C13H19N3O2/c1-13(5-3-2-4-6-13)8-15-11(17)10-7-14-9-16-12(10)18/h7,9H,2-6,8H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyMWTSGRLHTVGWFF-UHFFFAOYSA-N
XLogP1.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 131918052) is N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC1(CNC(=O)c2cnc[nH]c2=O)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MWTSGRLHTVGWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(5-3-2-4-6-13)8-15-11(17)10-7-14-9-16-12(10)18/h7,9H,2-6,8H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 131918052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).