4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3 — CID 2984907

IUPAC4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCCc2ccccc2)n1
InChIInChI=1S/C14H14F3N3/c1-10-9-12(14(15,16)17)20-13(19-10)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19,20)
InChIKeyYPHPJFYMYLSQQW-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.46
Rot. Bonds4

About 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2984907) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2984907
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCCc2ccccc2)n1
InChIInChI=1S/C14H14F3N3/c1-10-9-12(14(15,16)17)20-13(19-10)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19,20)
InChIKeyYPHPJFYMYLSQQW-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2984907) is 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YPHPJFYMYLSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-10-9-12(14(15,16)17)20-13(19-10)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19,20).
What are the key properties of 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2984907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).