6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

C13H16F3N3O — CID 136533250

IUPAC6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-8-7-9(18-11(17-8)13(14,15)16)10(20)19-12(2)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,19,20)
InChIKeySUYQQOFWFDOIRT-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.87
Rot. Bonds2

About 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 136533250) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID136533250
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-8-7-9(18-11(17-8)13(14,15)16)10(20)19-12(2)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,19,20)
InChIKeySUYQQOFWFDOIRT-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 136533250) is 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2(C)CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is SUYQQOFWFDOIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-7-9(18-11(17-8)13(14,15)16)10(20)19-12(2)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136533250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).