2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine

C16H17F3N4 — CID 46838882

IUPAC2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)14-10-20-15(21-11-14)23-8-6-22(7-9-23)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2
InChIKeyOWKIACZEWUKVFV-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine

2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 46838882) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID46838882
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)14-10-20-15(21-11-14)23-8-6-22(7-9-23)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2
InChIKeyOWKIACZEWUKVFV-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine (CID 46838882) is 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is OWKIACZEWUKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c17-16(18,19)14-10-20-15(21-11-14)23-8-6-22(7-9-23)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 322.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 46838882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).