N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C18H14F3N3 — CID 3234552

IUPACN-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nccc(NCc2ccccc2)n1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)15-9-5-4-8-14(15)17-22-11-10-16(24-17)23-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23,24)
InChIKeyLXXWUOPGIZLYDI-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.77
Rot. Bonds4

About N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3234552) has the molecular formula C18H14F3N3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3234552
Molecular FormulaC18H14F3N3
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC NameN-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nccc(NCc2ccccc2)n1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)15-9-5-4-8-14(15)17-22-11-10-16(24-17)23-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23,24)
InChIKeyLXXWUOPGIZLYDI-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3234552) is N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1-c1nccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is LXXWUOPGIZLYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c19-18(20,21)15-9-5-4-8-14(15)17-22-11-10-16(24-17)23-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23,24).
What are the key properties of N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 329.33 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3234552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).