4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile

C15H13F3N6 — CID 163345548

IUPAC4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccn1
InChIInChI=1S/C15H13F3N6/c16-15(17,18)13-8-14(22-10-21-13)24-5-3-23(4-6-24)12-1-2-20-11(7-12)9-19/h1-2,7-8,10H,3-6H2
InChIKeyXCZOSUBMWLKZBV-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.09
Rot. Bonds2

About 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile

4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 163345548) has the molecular formula C15H13F3N6 and a molecular weight of 334.31 g/mol. Its IUPAC name is 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID163345548
Molecular FormulaC15H13F3N6
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccn1
InChIInChI=1S/C15H13F3N6/c16-15(17,18)13-8-14(22-10-21-13)24-5-3-23(4-6-24)12-1-2-20-11(7-12)9-19/h1-2,7-8,10H,3-6H2
InChIKeyXCZOSUBMWLKZBV-UHFFFAOYSA-N
XLogP2.09
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345910
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345651
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163346338
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 126853610
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridine-2-carbonitrile
CID 64576388
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163346364
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile (CID 163345548) is 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccn1.
What is the InChIKey of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is XCZOSUBMWLKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6/c16-15(17,18)13-8-14(22-10-21-13)24-5-3-23(4-6-24)12-1-2-20-11(7-12)9-19/h1-2,7-8,10H,3-6H2.
What are the key properties of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 334.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163345548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).