4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H10F5N3 — CID 114563489

IUPAC4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2c(F)ccc(C)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10F5N3/c1-6-3-4-7(14)10(11(6)15)8-5-9(13(16,17)18)21-12(19-2)20-8/h3-5H,1-2H3,(H,19,20,21)
InChIKeyQKZLXVOZVZGODW-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.79
Rot. Bonds2

About 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563489) has the molecular formula C13H10F5N3 and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563489
Molecular FormulaC13H10F5N3
Molecular Weight303.23 g/mol
Exact Mass303.08
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2c(F)ccc(C)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10F5N3/c1-6-3-4-7(14)10(11(6)15)8-5-9(13(16,17)18)21-12(19-2)20-8/h3-5H,1-2H3,(H,19,20,21)
InChIKeyQKZLXVOZVZGODW-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 82822591
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
N-methyl-4-(1-methylimidazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563336
4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563418
4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563172
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564272
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563489) is 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-c2c(F)ccc(C)c2F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QKZLXVOZVZGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3/c1-6-3-4-7(14)10(11(6)15)8-5-9(13(16,17)18)21-12(19-2)20-8/h3-5H,1-2H3,(H,19,20,21).
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 303.23 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).