5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine

C11H17FN4 — CID 67923914

IUPAC5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine
SMILESCCCC1CNCCN1c1ncc(F)cn1
InChIInChI=1S/C11H17FN4/c1-2-3-10-8-13-4-5-16(10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3
InChIKeyKZZWEKGZKAYHBB-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.19
Rot. Bonds3

About 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine

5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine (PubChem CID 67923914) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine
PubChem CID67923914
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine
SMILESCCCC1CNCCN1c1ncc(F)cn1
InChIInChI=1S/C11H17FN4/c1-2-3-10-8-13-4-5-16(10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3
InChIKeyKZZWEKGZKAYHBB-UHFFFAOYSA-N
XLogP1.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine (CID 67923914) is 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine is CCCC1CNCCN1c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine?
The InChIKey is KZZWEKGZKAYHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-2-3-10-8-13-4-5-16(10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3.
What are the key properties of 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine?
5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine has a molecular weight of 224.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-propylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 67923914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).