N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide

C13H19N3O — CID 849599

IUPACN-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCCCC2)n1
InChIInChI=1S/C13H19N3O/c1-9-8-10(2)15-13(14-9)16-12(17)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyBUNGOUDEQJWENJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.61
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide

N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide (PubChem CID 849599) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide
PubChem CID849599
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCCCC2)n1
InChIInChI=1S/C13H19N3O/c1-9-8-10(2)15-13(14-9)16-12(17)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyBUNGOUDEQJWENJ-UHFFFAOYSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide (CID 849599) is N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide is Cc1cc(C)nc(NC(=O)C2CCCCC2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide?
The InChIKey is BUNGOUDEQJWENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-10(2)15-13(14-9)16-12(17)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide?
N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 849599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).