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

C13H12F3N3 — CID 80935689

IUPAC2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-2-12-18-10(7-11(17)19-12)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyFXVZSCXKPCJQEY-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.31
Rot. Bonds2

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

2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 80935689) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID80935689
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-2-12-18-10(7-11(17)19-12)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyFXVZSCXKPCJQEY-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 80935689) is 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCc1nc(N)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is FXVZSCXKPCJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-2-12-18-10(7-11(17)19-12)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 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-ethyl-6-[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 2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80935689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).