4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine

C19H17F3N6 — CID 163356780

IUPAC4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ccn1
InChIInChI=1S/C19H17F3N6/c20-19(21,22)17-12-15(3-6-24-17)27-8-10-28(11-9-27)18-25-7-4-16(26-18)14-2-1-5-23-13-14/h1-7,12-13H,8-11H2
InChIKeyMGSVAZZZXIOLJW-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.28
Rot. Bonds3

About 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine

4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine (PubChem CID 163356780) has the molecular formula C19H17F3N6 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
PubChem CID163356780
Molecular FormulaC19H17F3N6
Molecular Weight386.38 g/mol
Exact Mass386.15
IUPAC Name4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ccn1
InChIInChI=1S/C19H17F3N6/c20-19(21,22)17-12-15(3-6-24-17)27-8-10-28(11-9-27)18-25-7-4-16(26-18)14-2-1-5-23-13-14/h1-7,12-13H,8-11H2
InChIKeyMGSVAZZZXIOLJW-UHFFFAOYSA-N
XLogP3.28
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908
1-methylsulfonyl-4-(4-pyridin-3-ylpyrimidin-2-yl)-1,4-diazepane
CID 72893326
2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163357268
(5-bromo-3-pyridinyl)-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081681
[3,5-bis(trifluoromethyl)phenyl]-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081996
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
CID 163352347
1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one
CID 72861594
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine (CID 163356780) is 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine is FC(F)(F)c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ccn1.
What is the InChIKey of 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine?
The InChIKey is MGSVAZZZXIOLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6/c20-19(21,22)17-12-15(3-6-24-17)27-8-10-28(11-9-27)18-25-7-4-16(26-18)14-2-1-5-23-13-14/h1-7,12-13H,8-11H2.
What are the key properties of 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine?
4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine has a molecular weight of 386.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163356780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).