5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine

C11H15BrN4 — CID 51086700

IUPAC5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine
SMILESC=CCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H15BrN4/c1-2-3-15-4-6-16(7-5-15)11-13-8-10(12)9-14-11/h2,8-9H,1,3-7H2
InChIKeyFTCJFISJZCACTE-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.55
Rot. Bonds3

About 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine

5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine (PubChem CID 51086700) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine
PubChem CID51086700
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC Name5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine
SMILESC=CCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H15BrN4/c1-2-3-15-4-6-16(7-5-15)11-13-8-10(12)9-14-11/h2,8-9H,1,3-7H2
InChIKeyFTCJFISJZCACTE-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
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 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine (CID 51086700) is 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine is C=CCN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine?
The InChIKey is FTCJFISJZCACTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-2-3-15-4-6-16(7-5-15)11-13-8-10(12)9-14-11/h2,8-9H,1,3-7H2.
What are the key properties of 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine?
5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine has a molecular weight of 283.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-prop-2-enylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 51086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).