2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine

C17H20FN5 — CID 126892915

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
SMILESFc1ccc(N2CCN(C3CN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C17H20FN5/c18-14-2-4-15(5-3-14)21-8-10-22(11-9-21)16-12-23(13-16)17-19-6-1-7-20-17/h1-7,16H,8-13H2
InChIKeyKIDIFZRFMBISLF-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.63
Rot. Bonds3

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine (PubChem CID 126892915) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
PubChem CID126892915
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
SMILESFc1ccc(N2CCN(C3CN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C17H20FN5/c18-14-2-4-15(5-3-14)21-8-10-22(11-9-21)16-12-23(13-16)17-19-6-1-7-20-17/h1-7,16H,8-13H2
InChIKeyKIDIFZRFMBISLF-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine (CID 126892915) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine is Fc1ccc(N2CCN(C3CN(c4ncccn4)C3)CC2)cc1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine?
The InChIKey is KIDIFZRFMBISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c18-14-2-4-15(5-3-14)21-8-10-22(11-9-21)16-12-23(13-16)17-19-6-1-7-20-17/h1-7,16H,8-13H2.
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine has a molecular weight of 313.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine is sourced from PubChem (CID 126892915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).