2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide

C16H18F3N5O — CID 166481353

IUPAC2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC1CCC(NC(=O)c2cc(C(F)(F)F)nc(-n3ccnc3)n2)CC1
InChIInChI=1S/C16H18F3N5O/c1-10-2-4-11(5-3-10)21-14(25)12-8-13(16(17,18)19)23-15(22-12)24-7-6-20-9-24/h6-11H,2-5H2,1H3,(H,21,25)
InChIKeyRRYKSMXHMKCRFC-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.99
Rot. Bonds3

About 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 166481353) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID166481353
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC1CCC(NC(=O)c2cc(C(F)(F)F)nc(-n3ccnc3)n2)CC1
InChIInChI=1S/C16H18F3N5O/c1-10-2-4-11(5-3-10)21-14(25)12-8-13(16(17,18)19)23-15(22-12)24-7-6-20-9-24/h6-11H,2-5H2,1H3,(H,21,25)
InChIKeyRRYKSMXHMKCRFC-UHFFFAOYSA-N
XLogP2.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 166481353) is 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide is CC1CCC(NC(=O)c2cc(C(F)(F)F)nc(-n3ccnc3)n2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is RRYKSMXHMKCRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-2-4-11(5-3-10)21-14(25)12-8-13(16(17,18)19)23-15(22-12)24-7-6-20-9-24/h6-11H,2-5H2,1H3,(H,21,25).
What are the key properties of 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166481353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).