2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine

C12H17FN4 — CID 121020773

IUPAC2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(C3CCC3)CC2)nc1
InChIInChI=1S/C12H17FN4/c13-10-8-14-12(15-9-10)17-6-4-16(5-7-17)11-2-1-3-11/h8-9,11H,1-7H2
InChIKeyIJAALFCUCXVJFO-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.29
Rot. Bonds2

About 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine

2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine (PubChem CID 121020773) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine
PubChem CID121020773
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(C3CCC3)CC2)nc1
InChIInChI=1S/C12H17FN4/c13-10-8-14-12(15-9-10)17-6-4-16(5-7-17)11-2-1-3-11/h8-9,11H,1-7H2
InChIKeyIJAALFCUCXVJFO-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine (CID 121020773) is 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine is Fc1cnc(N2CCN(C3CCC3)CC2)nc1.
What is the InChIKey of 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine?
The InChIKey is IJAALFCUCXVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4/c13-10-8-14-12(15-9-10)17-6-4-16(5-7-17)11-2-1-3-11/h8-9,11H,1-7H2.
What are the key properties of 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine?
2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine has a molecular weight of 236.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylpiperazin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 121020773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).