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

C14H14F3N3 — CID 102754278

IUPAC2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C14H14F3N3/c1-3-13-19-11(7-12(18)20-13)10-5-4-9(6-8(10)2)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyFMDIQRLHFVGHFZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.62
Rot. Bonds2

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

2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 102754278) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID102754278
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C14H14F3N3/c1-3-13-19-11(7-12(18)20-13)10-5-4-9(6-8(10)2)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyFMDIQRLHFVGHFZ-UHFFFAOYSA-N
XLogP3.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
CID 80935518
2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70317978
2-ethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 67511489
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine
CID 102752878
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
CID 80936673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 102754278) is 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCc1nc(N)cc(-c2ccc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is FMDIQRLHFVGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-3-13-19-11(7-12(18)20-13)10-5-4-9(6-8(10)2)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 102754278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).