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

C13H12F3N3 — CID 72896596

IUPACN-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CCNc1ccncn1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-4-2-1-3-10(11)5-8-18-12-6-7-17-9-19-12/h1-4,6-7,9H,5,8H2,(H,17,18,19)
InChIKeyILBXKQUPSHEIGT-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.15
Rot. Bonds4

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

N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 72896596) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID72896596
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CCNc1ccncn1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-4-2-1-3-10(11)5-8-18-12-6-7-17-9-19-12/h1-4,6-7,9H,5,8H2,(H,17,18,19)
InChIKeyILBXKQUPSHEIGT-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (CID 72896596) is N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1CCNc1ccncn1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is ILBXKQUPSHEIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)11-4-2-1-3-10(11)5-8-18-12-6-7-17-9-19-12/h1-4,6-7,9H,5,8H2,(H,17,18,19).
What are the key properties of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72896596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).