5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine

C10H7Br2IN4 — CID 114261712

IUPAC5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2cc(I)ccc2Br)n1
InChIInChI=1S/C10H7Br2IN4/c11-6-2-1-5(13)3-8(6)16-9-7(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyFVQZKDYPJFDEHI-UHFFFAOYSA-N
MW469.91 g/mol
LogP3.93
Rot. Bonds2

About 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine

5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine (PubChem CID 114261712) has the molecular formula C10H7Br2IN4 and a molecular weight of 469.91 g/mol. Its IUPAC name is 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
PubChem CID114261712
Molecular FormulaC10H7Br2IN4
Molecular Weight469.91 g/mol
Exact Mass467.81
IUPAC Name5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2cc(I)ccc2Br)n1
InChIInChI=1S/C10H7Br2IN4/c11-6-2-1-5(13)3-8(6)16-9-7(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyFVQZKDYPJFDEHI-UHFFFAOYSA-N
XLogP3.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.91
LogP ≤ 53.93
H-Bond Donors ≤ 52
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 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine (CID 114261712) is 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(Nc2cc(I)ccc2Br)n1.
What is the InChIKey of 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine?
The InChIKey is FVQZKDYPJFDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2IN4/c11-6-2-1-5(13)3-8(6)16-9-7(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine has a molecular weight of 469.91 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114261712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).