N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C18H15F3N4 — CID 44590980

IUPACN-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCCc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H15F3N4/c19-18(20,21)15-12-16(23-11-9-13-6-2-1-3-7-13)25-17(24-15)14-8-4-5-10-22-14/h1-8,10,12H,9,11H2,(H,23,24,25)
InChIKeyPLGDVRBIRVMWOY-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.21
Rot. Bonds5

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

N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 44590980) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID44590980
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCCc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H15F3N4/c19-18(20,21)15-12-16(23-11-9-13-6-2-1-3-7-13)25-17(24-15)14-8-4-5-10-22-14/h1-8,10,12H,9,11H2,(H,23,24,25)
InChIKeyPLGDVRBIRVMWOY-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 44590980) is N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCCc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PLGDVRBIRVMWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c19-18(20,21)15-12-16(23-11-9-13-6-2-1-3-7-13)25-17(24-15)14-8-4-5-10-22-14/h1-8,10,12H,9,11H2,(H,23,24,25).
What are the key properties of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 344.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 44590980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).