2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C15H14F5N5 — CID 141398251

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC1(F)CCN(c2nc(Nc3ccccn3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H14F5N5/c16-14(17)4-7-25(8-5-14)13-22-10(15(18,19)20)9-12(24-13)23-11-3-1-2-6-21-11/h1-3,6,9H,4-5,7-8H2,(H,21,22,23,24)
InChIKeyIPAKKIWUWJXBOL-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.87
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141398251) has the molecular formula C15H14F5N5 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141398251
Molecular FormulaC15H14F5N5
Molecular Weight359.30 g/mol
Exact Mass359.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC1(F)CCN(c2nc(Nc3ccccn3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H14F5N5/c16-14(17)4-7-25(8-5-14)13-22-10(15(18,19)20)9-12(24-13)23-11-3-1-2-6-21-11/h1-3,6,9H,4-5,7-8H2,(H,21,22,23,24)
InChIKeyIPAKKIWUWJXBOL-UHFFFAOYSA-N
XLogP3.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 141398251) is 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC1(F)CCN(c2nc(Nc3ccccn3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IPAKKIWUWJXBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N5/c16-14(17)4-7-25(8-5-14)13-22-10(15(18,19)20)9-12(24-13)23-11-3-1-2-6-21-11/h1-3,6,9H,4-5,7-8H2,(H,21,22,23,24).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 359.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141398251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).