2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine

C9H11F3N4 — CID 86332063

IUPAC2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc([C@@H]2CNCCN2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-15-8(16-7)6-5-13-3-4-14-6/h1-2,6,13-14H,3-5H2/t6-/m0/s1
InChIKeyAEIRRERMVZXZCD-LURJTMIESA-N
MW232.21 g/mol
LogP0.73
Rot. Bonds1

About 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine

2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 86332063) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID86332063
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc([C@@H]2CNCCN2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-15-8(16-7)6-5-13-3-4-14-6/h1-2,6,13-14H,3-5H2/t6-/m0/s1
InChIKeyAEIRRERMVZXZCD-LURJTMIESA-N
XLogP0.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine (CID 86332063) is 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc([C@@H]2CNCCN2)n1.
What is the InChIKey of 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is AEIRRERMVZXZCD-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-15-8(16-7)6-5-13-3-4-14-6/h1-2,6,13-14H,3-5H2/t6-/m0/s1.
What are the key properties of 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine?
2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 232.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperazin-2-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 86332063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).