5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

C15H15F3N4 — CID 117212437

IUPAC5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)13-4-2-1-3-12(13)14-20-9-11(10-21-14)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2
InChIKeyQDGZLQLVKCXVLV-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.57
Rot. Bonds2

About 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 117212437) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID117212437
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)13-4-2-1-3-12(13)14-20-9-11(10-21-14)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2
InChIKeyQDGZLQLVKCXVLV-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,4-diazepane
CID 141432814
1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine
CID 117210977
N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119494232
5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 117230766
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
2-(5-piperazin-1-yl-2-pyridinyl)isoindole-1,3-dione
CID 130622966
1-[4-bromo-3-(trifluoromethyl)phenyl]piperazine
CID 56984078
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
CID 21062563
2-chloro-5-[(3-phenylpiperazin-1-yl)methyl]pyrimidine;5-[(3-phenylpiperazin-1-yl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 158539317
4-piperazin-1-yl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 11403582
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (CID 117212437) is 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccccc1-c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is QDGZLQLVKCXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-15(17,18)13-4-2-1-3-12(13)14-20-9-11(10-21-14)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2.
What are the key properties of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 308.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 117212437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).