N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C20H14F3N5O — CID 112850765

IUPACN-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(F)(F)F)cc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C20H14F3N5O/c1-12-25-17(19(29)28-15-8-4-2-6-13(15)11-24)10-18(26-12)27-16-9-5-3-7-14(16)20(21,22)23/h2-10H,1H3,(H,28,29)(H,25,26,27)
InChIKeyPHEUKHJRUPVTKA-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.67
Rot. Bonds4

About N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 112850765) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID112850765
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC NameN-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(F)(F)F)cc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C20H14F3N5O/c1-12-25-17(19(29)28-15-8-4-2-6-13(15)11-24)10-18(26-12)27-16-9-5-3-7-14(16)20(21,22)23/h2-10H,1H3,(H,28,29)(H,25,26,27)
InChIKeyPHEUKHJRUPVTKA-UHFFFAOYSA-N
XLogP4.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112848302
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 112850765) is N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C(F)(F)F)cc(C(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is PHEUKHJRUPVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-12-25-17(19(29)28-15-8-4-2-6-13(15)11-24)10-18(26-12)27-16-9-5-3-7-14(16)20(21,22)23/h2-10H,1H3,(H,28,29)(H,25,26,27).
What are the key properties of N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 112850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).