2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine

C10H8Br2IN3O — CID 66295991

IUPAC2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)c(Br)o2)nc(N)c1I
InChIInChI=1S/C10H8Br2IN3O/c1-2-5-7(13)9(14)16-10(15-5)6-3-4(11)8(12)17-6/h3H,2H2,1H3,(H2,14,15,16)
InChIKeySJOCGZAYRWXOAZ-UHFFFAOYSA-N
MW472.91 g/mol
LogP4.01
Rot. Bonds2

About 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine

2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66295991) has the molecular formula C10H8Br2IN3O and a molecular weight of 472.91 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine
PubChem CID66295991
Molecular FormulaC10H8Br2IN3O
Molecular Weight472.91 g/mol
Exact Mass470.81
IUPAC Name2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)c(Br)o2)nc(N)c1I
InChIInChI=1S/C10H8Br2IN3O/c1-2-5-7(13)9(14)16-10(15-5)6-3-4(11)8(12)17-6/h3H,2H2,1H3,(H2,14,15,16)
InChIKeySJOCGZAYRWXOAZ-UHFFFAOYSA-N
XLogP4.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine (CID 66295991) is 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine is CCc1nc(-c2cc(Br)c(Br)o2)nc(N)c1I.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is SJOCGZAYRWXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2IN3O/c1-2-5-7(13)9(14)16-10(15-5)6-3-4(11)8(12)17-6/h3H,2H2,1H3,(H2,14,15,16).
What are the key properties of 2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine?
2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 472.91 g/mol, XLogP of 4.01, 2 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)-6-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66295991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).