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

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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).