6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile

C13H9F3N4 — CID 110383544

IUPAC6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H9F3N4/c1-8-6-9(7-17)19-12(18-8)20-11-5-3-2-4-10(11)13(14,15)16/h2-6H,1H3,(H,18,19,20)
InChIKeyJOJYQVKKYPJYFY-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.42
Rot. Bonds2

About 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile

6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile (PubChem CID 110383544) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
PubChem CID110383544
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H9F3N4/c1-8-6-9(7-17)19-12(18-8)20-11-5-3-2-4-10(11)13(14,15)16/h2-6H,1H3,(H,18,19,20)
InChIKeyJOJYQVKKYPJYFY-UHFFFAOYSA-N
XLogP3.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383586
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383536
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112927359
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383551
2-(2-bromo-3-chloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 107545453
4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
4-[6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914587
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
2-(2,4-dibromoanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543940
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile (CID 110383544) is 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile?
The InChIKey is JOJYQVKKYPJYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-8-6-9(7-17)19-12(18-8)20-11-5-3-2-4-10(11)13(14,15)16/h2-6H,1H3,(H,18,19,20).
What are the key properties of 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile?
6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile has a molecular weight of 278.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 110383544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).