2-(2-prop-2-enylpiperazin-2-yl)pyrimidine

C11H16N4 — CID 173215158

IUPAC2-(2-prop-2-enylpiperazin-2-yl)pyrimidine
SMILESC=CCC1(c2ncccn2)CNCCN1
InChIInChI=1S/C11H16N4/c1-2-4-11(9-12-7-8-15-11)10-13-5-3-6-14-10/h2-3,5-6,12,15H,1,4,7-9H2
InChIKeyOEGATNCHCZBOMZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.44
Rot. Bonds3

About 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine

2-(2-prop-2-enylpiperazin-2-yl)pyrimidine (PubChem CID 173215158) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-prop-2-enylpiperazin-2-yl)pyrimidine
PubChem CID173215158
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(2-prop-2-enylpiperazin-2-yl)pyrimidine
SMILESC=CCC1(c2ncccn2)CNCCN1
InChIInChI=1S/C11H16N4/c1-2-4-11(9-12-7-8-15-11)10-13-5-3-6-14-10/h2-3,5-6,12,15H,1,4,7-9H2
InChIKeyOEGATNCHCZBOMZ-UHFFFAOYSA-N
XLogP0.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine?
The IUPAC name of 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine (CID 173215158) is 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine.
What is the SMILES notation for 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine?
The canonical SMILES for 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine is C=CCC1(c2ncccn2)CNCCN1.
What is the InChIKey of 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine?
The InChIKey is OEGATNCHCZBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-4-11(9-12-7-8-15-11)10-13-5-3-6-14-10/h2-3,5-6,12,15H,1,4,7-9H2.
What are the key properties of 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine?
2-(2-prop-2-enylpiperazin-2-yl)pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylpiperazin-2-yl)pyrimidine is sourced from PubChem (CID 173215158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).