4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine

C21H19F3N4 — CID 133329913

IUPAC4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(c3ccccc3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H19F3N4/c22-21(23,24)18-14-19(27-20(26-18)17-6-10-25-11-7-17)28-12-8-16(9-13-28)15-4-2-1-3-5-15/h1-7,10-11,14,16H,8-9,12-13H2
InChIKeyQUZCYJOPWRSXIQ-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.94
Rot. Bonds3

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

4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 133329913) has the molecular formula C21H19F3N4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
PubChem CID133329913
Molecular FormulaC21H19F3N4
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(c3ccccc3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H19F3N4/c22-21(23,24)18-14-19(27-20(26-18)17-6-10-25-11-7-17)28-12-8-16(9-13-28)15-4-2-1-3-5-15/h1-7,10-11,14,16H,8-9,12-13H2
InChIKeyQUZCYJOPWRSXIQ-UHFFFAOYSA-N
XLogP4.94
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 133318191
N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 133329180
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133458800
2-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322882
4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 71853934
2,2-dimethyl-1-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 133310194
4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444137
1-(2-chlorophenyl)-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166333683
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133363780
(3-chlorophenyl)-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 133329963
1-(2-cyanophenyl)-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166333685
1-ethyl-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166325400

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine (CID 133329913) is 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(N2CCC(c3ccccc3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QUZCYJOPWRSXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4/c22-21(23,24)18-14-19(27-20(26-18)17-6-10-25-11-7-17)28-12-8-16(9-13-28)15-4-2-1-3-5-15/h1-7,10-11,14,16H,8-9,12-13H2.
What are the key properties of 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 384.41 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133329913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).