4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

C14H14F3N3 — CID 157068956

IUPAC4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C(F)(F)F)ccc2C)nc(N)n1
InChIInChI=1S/C14H14F3N3/c1-3-10-7-12(20-13(18)19-10)11-6-9(14(15,16)17)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyJLJRUKKFLURWFP-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.62
Rot. Bonds2

About 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 157068956) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID157068956
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C(F)(F)F)ccc2C)nc(N)n1
InChIInChI=1S/C14H14F3N3/c1-3-10-7-12(20-13(18)19-10)11-6-9(14(15,16)17)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyJLJRUKKFLURWFP-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

Analyze 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563197
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 102754278
4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636
4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 141428953
4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331637
4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
CID 158483870
4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158483873
1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2,2,2-trifluoroethanone
CID 157463679
ethane;3-ethyl-1-methyl-6-(trifluoromethyl)isoquinoline
CID 143771038
2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline
CID 137425290
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 157068956) is 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine is CCc1cc(-c2cc(C(F)(F)F)ccc2C)nc(N)n1.
What is the InChIKey of 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is JLJRUKKFLURWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-3-10-7-12(20-13(18)19-10)11-6-9(14(15,16)17)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-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 4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157068956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).