1H-perimidin-2-amine;hydrobromide

C11H10BrN3 — CID 2724235

IUPAC1H-perimidin-2-amine;hydrobromide
SMILESBr.NC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H
InChIKeyHFZUTZWRTHBWPV-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.79
Rot. Bonds

About 1H-perimidin-2-amine;hydrobromide

1H-perimidin-2-amine;hydrobromide (PubChem CID 2724235) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 1H-perimidin-2-amine;hydrobromide.

Molecular Properties

Compound Name1H-perimidin-2-amine;hydrobromide
PubChem CID2724235
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name1H-perimidin-2-amine;hydrobromide
SMILESBr.NC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H
InChIKeyHFZUTZWRTHBWPV-UHFFFAOYSA-N
XLogP2.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-perimidin-2-amine;hydrobromide?
The IUPAC name of 1H-perimidin-2-amine;hydrobromide (CID 2724235) is 1H-perimidin-2-amine;hydrobromide.
What is the SMILES notation for 1H-perimidin-2-amine;hydrobromide?
The canonical SMILES for 1H-perimidin-2-amine;hydrobromide is Br.NC1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 1H-perimidin-2-amine;hydrobromide?
The InChIKey is HFZUTZWRTHBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H.
What are the key properties of 1H-perimidin-2-amine;hydrobromide?
1H-perimidin-2-amine;hydrobromide has a molecular weight of 264.13 g/mol, XLogP of 2.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-perimidin-2-amine;hydrobromide is sourced from PubChem (CID 2724235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).