2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C13H15BrIN3O — CID 66297356

IUPAC2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)o2)nc(CC)c1I
InChIInChI=1S/C13H15BrIN3O/c1-3-7-16-13-11(15)8(4-2)17-12(18-13)9-5-6-10(14)19-9/h5-6H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyINGJDVNWXOXOLW-UHFFFAOYSA-N
MW436.09 g/mol
LogP4.49
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66297356) has the molecular formula C13H15BrIN3O and a molecular weight of 436.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66297356
Molecular FormulaC13H15BrIN3O
Molecular Weight436.09 g/mol
Exact Mass434.94
IUPAC Name2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)o2)nc(CC)c1I
InChIInChI=1S/C13H15BrIN3O/c1-3-7-16-13-11(15)8(4-2)17-12(18-13)9-5-6-10(14)19-9/h5-6H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyINGJDVNWXOXOLW-UHFFFAOYSA-N
XLogP4.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.09
LogP ≤ 54.49
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-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 66297356) is 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Br)o2)nc(CC)c1I.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is INGJDVNWXOXOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrIN3O/c1-3-7-16-13-11(15)8(4-2)17-12(18-13)9-5-6-10(14)19-9/h5-6H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 436.09 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).