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

C12H12Br2IN3O — CID 66296963

IUPAC2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)o2)nc(CC)c1I
InChIInChI=1S/C12H12Br2IN3O/c1-3-7-9(15)12(16-4-2)18-11(17-7)8-5-6(13)10(14)19-8/h5H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyZFBBTPPQDBNQGL-UHFFFAOYSA-N
MW500.96 g/mol
LogP4.86
Rot. Bonds4

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

2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine (PubChem CID 66296963) has the molecular formula C12H12Br2IN3O and a molecular weight of 500.96 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
PubChem CID66296963
Molecular FormulaC12H12Br2IN3O
Molecular Weight500.96 g/mol
Exact Mass498.84
IUPAC Name2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)o2)nc(CC)c1I
InChIInChI=1S/C12H12Br2IN3O/c1-3-7-9(15)12(16-4-2)18-11(17-7)8-5-6(13)10(14)19-8/h5H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyZFBBTPPQDBNQGL-UHFFFAOYSA-N
XLogP4.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.96
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dibromofuran-2-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295991
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 102844007
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 102844049
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine (CID 66296963) is 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(Br)o2)nc(CC)c1I.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The InChIKey is ZFBBTPPQDBNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2IN3O/c1-3-7-9(15)12(16-4-2)18-11(17-7)8-5-6(13)10(14)19-8/h5H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine?
2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine has a molecular weight of 500.96 g/mol, XLogP of 4.86, 4 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)-N,6-diethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66296963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).