2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine

C10H6BrFIN3 — CID 66423101

IUPAC2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cc(F)cc(Br)c2)ncc1I
InChIInChI=1S/C10H6BrFIN3/c11-6-1-5(2-7(12)3-6)10-15-4-8(13)9(14)16-10/h1-4H,(H2,14,15,16)
InChIKeyBYVWUFQYXSVMNI-UHFFFAOYSA-N
MW393.99 g/mol
LogP3.23
Rot. Bonds1

About 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine

2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66423101) has the molecular formula C10H6BrFIN3 and a molecular weight of 393.99 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66423101
Molecular FormulaC10H6BrFIN3
Molecular Weight393.99 g/mol
Exact Mass392.88
IUPAC Name2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cc(F)cc(Br)c2)ncc1I
InChIInChI=1S/C10H6BrFIN3/c11-6-1-5(2-7(12)3-6)10-15-4-8(13)9(14)16-10/h1-4H,(H2,14,15,16)
InChIKeyBYVWUFQYXSVMNI-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine (CID 66423101) is 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2cc(F)cc(Br)c2)ncc1I.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is BYVWUFQYXSVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFIN3/c11-6-1-5(2-7(12)3-6)10-15-4-8(13)9(14)16-10/h1-4H,(H2,14,15,16).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 393.99 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66423101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).