2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C19H22F3N5 — CID 133318191

IUPAC2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(N3CCCC3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H22F3N5/c20-19(21,22)16-13-17(25-18(24-16)14-3-7-23-8-4-14)27-11-5-15(6-12-27)26-9-1-2-10-26/h3-4,7-8,13,15H,1-2,5-6,9-12H2
InChIKeyGPLHXHCFNGLAGG-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.62
Rot. Bonds3

About 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 133318191) has the molecular formula C19H22F3N5 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID133318191
Molecular FormulaC19H22F3N5
Molecular Weight377.41 g/mol
Exact Mass377.18
IUPAC Name2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(N3CCCC3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H22F3N5/c20-19(21,22)16-13-17(25-18(24-16)14-3-7-23-8-4-14)27-11-5-15(6-12-27)26-9-1-2-10-26/h3-4,7-8,13,15H,1-2,5-6,9-12H2
InChIKeyGPLHXHCFNGLAGG-UHFFFAOYSA-N
XLogP3.62
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 133318191) is 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(N2CCC(N3CCCC3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is GPLHXHCFNGLAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5/c20-19(21,22)16-13-17(25-18(24-16)14-3-7-23-8-4-14)27-11-5-15(6-12-27)26-9-1-2-10-26/h3-4,7-8,13,15H,1-2,5-6,9-12H2.
What are the key properties of 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 377.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133318191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).