2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C12H11Br2N3O — CID 62202837

IUPAC2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(-c2cc(Br)c(Br)o2)nc2c1CCCC2
InChIInChI=1S/C12H11Br2N3O/c13-7-5-9(18-10(7)14)12-16-8-4-2-1-3-6(8)11(15)17-12/h5H,1-4H2,(H2,15,16,17)
InChIKeyLNOPNDVTYGSDEG-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.72
Rot. Bonds1

About 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62202837) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62202837
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(-c2cc(Br)c(Br)o2)nc2c1CCCC2
InChIInChI=1S/C12H11Br2N3O/c13-7-5-9(18-10(7)14)12-16-8-4-2-1-3-6(8)11(15)17-12/h5H,1-4H2,(H2,15,16,17)
InChIKeyLNOPNDVTYGSDEG-UHFFFAOYSA-N
XLogP3.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62202837) is 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(-c2cc(Br)c(Br)o2)nc2c1CCCC2.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is LNOPNDVTYGSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c13-7-5-9(18-10(7)14)12-16-8-4-2-1-3-6(8)11(15)17-12/h5H,1-4H2,(H2,15,16,17).
What are the key properties of 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 373.05 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62202837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).