N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C19H16F4N4 — CID 133318905

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(c1ccccc1F)N(C)c1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C19H16F4N4/c1-12(14-5-3-4-6-15(14)20)27(2)17-11-16(19(21,22)23)25-18(26-17)13-7-9-24-10-8-13/h3-12H,1-2H3
InChIKeyXQRVGYCIZIXFNN-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.89
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133318905) has the molecular formula C19H16F4N4 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133318905
Molecular FormulaC19H16F4N4
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(c1ccccc1F)N(C)c1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C19H16F4N4/c1-12(14-5-3-4-6-15(14)20)27(2)17-11-16(19(21,22)23)25-18(26-17)13-7-9-24-10-8-13/h3-12H,1-2H3
InChIKeyXQRVGYCIZIXFNN-UHFFFAOYSA-N
XLogP4.89
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133318905) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC(c1ccccc1F)N(C)c1cc(C(F)(F)F)nc(-c2ccncc2)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XQRVGYCIZIXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4/c1-12(14-5-3-4-6-15(14)20)27(2)17-11-16(19(21,22)23)25-18(26-17)13-7-9-24-10-8-13/h3-12H,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 376.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133318905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).