6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H12F3N3 — CID 62192267

IUPAC6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-2-10-7-11(17)19-12(18-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyAQEARZXYGNKRED-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.31
Rot. Bonds2

About 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 62192267) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID62192267
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-2-10-7-11(17)19-12(18-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyAQEARZXYGNKRED-UHFFFAOYSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 62190498
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228
4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
CID 94902136
4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 63868345

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 62192267) is 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCc1cc(N)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is AQEARZXYGNKRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-2-10-7-11(17)19-12(18-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19).
What are the key properties of 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).