N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide

C12H17N3O — CID 87050651

IUPACN-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide
SMILESCc1ncc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C12H17N3O/c1-9-13-7-11(8-14-9)15-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyRZWOMRUSLXDIER-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.30
Rot. Bonds2

About N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide

N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide (PubChem CID 87050651) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide
PubChem CID87050651
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide
SMILESCc1ncc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C12H17N3O/c1-9-13-7-11(8-14-9)15-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyRZWOMRUSLXDIER-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide (CID 87050651) is N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide is Cc1ncc(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
The InChIKey is RZWOMRUSLXDIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-13-7-11(8-14-9)15-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 87050651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).