5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline

C14H14F3N3 — CID 165458321

IUPAC5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1cc(C)nc(-c2cc(N)c(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-7-4-8(2)20-13(19-7)10-5-11(14(15,16)17)9(3)12(18)6-10/h4-6H,18H2,1-3H3
InChIKeyRZQKKVLLYXONRS-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.67
Rot. Bonds1

About 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline

5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline (PubChem CID 165458321) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline
PubChem CID165458321
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1cc(C)nc(-c2cc(N)c(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-7-4-8(2)20-13(19-7)10-5-11(14(15,16)17)9(3)12(18)6-10/h4-6H,18H2,1-3H3
InChIKeyRZQKKVLLYXONRS-UHFFFAOYSA-N
XLogP3.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458244
2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline
CID 165451580
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458251
5-chloro-2-methyl-3-(trifluoromethyl)aniline
CID 130983523
5-(3-chloro-4-methylphenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458315
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)aniline
CID 62304620
(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol
CID 155467959
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 21025867
2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
CID 82471042
2,4,5-trimethyl-3-(trifluoromethyl)aniline
CID 175281505
2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol
CID 22140341
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline (CID 165458321) is 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline is Cc1cc(C)nc(-c2cc(N)c(C)c(C(F)(F)F)c2)n1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline?
The InChIKey is RZQKKVLLYXONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-7-4-8(2)20-13(19-7)10-5-11(14(15,16)17)9(3)12(18)6-10/h4-6H,18H2,1-3H3.
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline?
5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline has a molecular weight of 281.28 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 165458321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).