5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine

C12H8BrN3O2 — CID 23020456

IUPAC5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
SMILESNc1nc(-c2ccco2)c(Br)c(-c2ccco2)n1
InChIInChI=1S/C12H8BrN3O2/c13-9-10(7-3-1-5-17-7)15-12(14)16-11(9)8-4-2-6-18-8/h1-6H,(H2,14,15,16)
InChIKeyQEFGSYOHUBGGJW-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.34
Rot. Bonds2

About 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine

5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine (PubChem CID 23020456) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
PubChem CID23020456
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
SMILESNc1nc(-c2ccco2)c(Br)c(-c2ccco2)n1
InChIInChI=1S/C12H8BrN3O2/c13-9-10(7-3-1-5-17-7)15-12(14)16-11(9)8-4-2-6-18-8/h1-6H,(H2,14,15,16)
InChIKeyQEFGSYOHUBGGJW-UHFFFAOYSA-N
XLogP3.34
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine (CID 23020456) is 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine is Nc1nc(-c2ccco2)c(Br)c(-c2ccco2)n1.
What is the InChIKey of 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine?
The InChIKey is QEFGSYOHUBGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-9-10(7-3-1-5-17-7)15-12(14)16-11(9)8-4-2-6-18-8/h1-6H,(H2,14,15,16).
What are the key properties of 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine?
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine has a molecular weight of 306.12 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 23020456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).