2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C7H6F3N3O — CID 90880210

IUPAC2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O/c1-3-12-4(6(11)14)2-5(13-3)7(8,9)10/h2H,1H3,(H2,11,14)
InChIKeyWNXVFWBBWUIZAU-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.90
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 90880210) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID90880210
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O/c1-3-12-4(6(11)14)2-5(13-3)7(8,9)10/h2H,1H3,(H2,11,14)
InChIKeyWNXVFWBBWUIZAU-UHFFFAOYSA-N
XLogP0.90
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloropyrimidine-4,6-dicarboxamide
CID 250943
2,6-Dimethylpyrimidine-4-carbaldehyde
CID 22185220
2-chloro-N,6-dimethylpyrimidine-4-carboxamide
CID 88855458
6-methyl-N-(2-sulfanylethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 177679594
2,6-Diaminopyrimidine-4-carboxamide
CID 240909
6-(Difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
CID 138991399
2-Chloro-6-methyl-pyrimidine-4-carboxylic acid amide
CID 12355083
2-Pyrimidinecarboxamide, 4,6-dimethyl-
CID 12562157
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 50976603
N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide
CID 131899429
N-(1,1-diethylpropyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131927139
N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 132970897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 90880210) is 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1nc(C(N)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is WNXVFWBBWUIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c1-3-12-4(6(11)14)2-5(13-3)7(8,9)10/h2H,1H3,(H2,11,14).
What are the key properties of 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 205.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 90880210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).