2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine

C9H11F3N4 — CID 2778334

IUPAC2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2
InChIKeyWBJVPAABGFBMJQ-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.90
Rot. Bonds1

About 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine

2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 2778334) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
PubChem CID2778334
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2
InChIKeyWBJVPAABGFBMJQ-UHFFFAOYSA-N
XLogP0.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine (CID 2778334) is 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is WBJVPAABGFBMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2.
What are the key properties of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine?
2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 232.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2778334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).