N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C19H24F3N5 — CID 133328250

IUPACN-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCCN(C(C)CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1
InChIInChI=1S/C19H24F3N5/c1-13-4-3-9-27(12-13)14(2)11-24-17-10-16(19(20,21)22)25-18(26-17)15-5-7-23-8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,24,25,26)
InChIKeyXJTPUZGLABMFMU-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133328250) has the molecular formula C19H24F3N5 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133328250
Molecular FormulaC19H24F3N5
Molecular Weight379.43 g/mol
Exact Mass379.20
IUPAC NameN-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCCN(C(C)CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1
InChIInChI=1S/C19H24F3N5/c1-13-4-3-9-27(12-13)14(2)11-24-17-10-16(19(20,21)22)25-18(26-17)15-5-7-23-8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,24,25,26)
InChIKeyXJTPUZGLABMFMU-UHFFFAOYSA-N
XLogP4.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133328250) is N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC1CCCN(C(C)CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XJTPUZGLABMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5/c1-13-4-3-9-27(12-13)14(2)11-24-17-10-16(19(20,21)22)25-18(26-17)15-5-7-23-8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 379.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).