2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine

C16H19F3N6 — CID 155432779

IUPAC2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cnn(C3CCNCC3)c2)nc(N2CCC2)n1
InChIInChI=1S/C16H19F3N6/c17-16(18,19)14-8-13(22-15(23-14)24-6-1-7-24)11-9-21-25(10-11)12-2-4-20-5-3-12/h8-10,12,20H,1-7H2
InChIKeyAAKZNAIVOPPMLV-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.49
Rot. Bonds3

About 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine

2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 155432779) has the molecular formula C16H19F3N6 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID155432779
Molecular FormulaC16H19F3N6
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC Name2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cnn(C3CCNCC3)c2)nc(N2CCC2)n1
InChIInChI=1S/C16H19F3N6/c17-16(18,19)14-8-13(22-15(23-14)24-6-1-7-24)11-9-21-25(10-11)12-2-4-20-5-3-12/h8-10,12,20H,1-7H2
InChIKeyAAKZNAIVOPPMLV-UHFFFAOYSA-N
XLogP2.49
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine (CID 155432779) is 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2cnn(C3CCNCC3)c2)nc(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is AAKZNAIVOPPMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6/c17-16(18,19)14-8-13(22-15(23-14)24-6-1-7-24)11-9-21-25(10-11)12-2-4-20-5-3-12/h8-10,12,20H,1-7H2.
What are the key properties of 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine?
2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 352.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 155432779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).