5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine

C13H22N4 — CID 168923337

IUPAC5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
SMILESCCCN1CCN(c2ncc(CC)cn2)CC1
InChIInChI=1S/C13H22N4/c1-3-5-16-6-8-17(9-7-16)13-14-10-12(4-2)11-15-13/h10-11H,3-9H2,1-2H3
InChIKeyPILLGQHJMIZNII-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.57
Rot. Bonds4

About 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine

5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine (PubChem CID 168923337) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
PubChem CID168923337
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
SMILESCCCN1CCN(c2ncc(CC)cn2)CC1
InChIInChI=1S/C13H22N4/c1-3-5-16-6-8-17(9-7-16)13-14-10-12(4-2)11-15-13/h10-11H,3-9H2,1-2H3
InChIKeyPILLGQHJMIZNII-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine (CID 168923337) is 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine is CCCN1CCN(c2ncc(CC)cn2)CC1.
What is the InChIKey of 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine?
The InChIKey is PILLGQHJMIZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-5-16-6-8-17(9-7-16)13-14-10-12(4-2)11-15-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine?
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 168923337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).