5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H10BrIN4 — CID 114071867

IUPAC5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccccc2I)c1Br
InChIInChI=1S/C11H10BrIN4/c1-14-10-9(12)11(16-6-15-10)17-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyOFYNSTUUMGJBNT-UHFFFAOYSA-N
MW405.04 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine

5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114071867) has the molecular formula C11H10BrIN4 and a molecular weight of 405.04 g/mol. Its IUPAC name is 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID114071867
Molecular FormulaC11H10BrIN4
Molecular Weight405.04 g/mol
Exact Mass403.91
IUPAC Name5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccccc2I)c1Br
InChIInChI=1S/C11H10BrIN4/c1-14-10-9(12)11(16-6-15-10)17-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyOFYNSTUUMGJBNT-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 53.63
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-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 114071867) is 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(Nc2ccccc2I)c1Br.
What is the InChIKey of 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is OFYNSTUUMGJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN4/c1-14-10-9(12)11(16-6-15-10)17-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 405.04 g/mol, XLogP of 3.63, 3 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-iodophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114071867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).