2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine

C15H11BrN2O — CID 802594

IUPAC2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine
SMILESBrc1ccc(C2Nc3cccc4cccc(c34)N2)o1
InChIInChI=1S/C15H11BrN2O/c16-13-8-7-12(19-13)15-17-10-5-1-3-9-4-2-6-11(18-15)14(9)10/h1-8,15,17-18H
InChIKeyPPNRSNNSFUFOCE-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.73
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine

2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine (PubChem CID 802594) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine
PubChem CID802594
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine
SMILESBrc1ccc(C2Nc3cccc4cccc(c34)N2)o1
InChIInChI=1S/C15H11BrN2O/c16-13-8-7-12(19-13)15-17-10-5-1-3-9-4-2-6-11(18-15)14(9)10/h1-8,15,17-18H
InChIKeyPPNRSNNSFUFOCE-UHFFFAOYSA-N
XLogP4.73
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine (CID 802594) is 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine is Brc1ccc(C2Nc3cccc4cccc(c34)N2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine?
The InChIKey is PPNRSNNSFUFOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-8-7-12(19-13)15-17-10-5-1-3-9-4-2-6-11(18-15)14(9)10/h1-8,15,17-18H.
What are the key properties of 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine?
2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine has a molecular weight of 315.17 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 802594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).