2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C12H11BrIN3 — CID 66305711

IUPAC2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2Br)nc(C)c1I
InChIInChI=1S/C12H11BrIN3/c1-7-10(14)12(15-2)17-11(16-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyITQCIRPPAYUXNY-UHFFFAOYSA-N
MW404.05 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66305711) has the molecular formula C12H11BrIN3 and a molecular weight of 404.05 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66305711
Molecular FormulaC12H11BrIN3
Molecular Weight404.05 g/mol
Exact Mass402.92
IUPAC Name2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2Br)nc(C)c1I
InChIInChI=1S/C12H11BrIN3/c1-7-10(14)12(15-2)17-11(16-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyITQCIRPPAYUXNY-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 53.86
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-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66305711) is 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2ccccc2Br)nc(C)c1I.
What is the InChIKey of 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ITQCIRPPAYUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrIN3/c1-7-10(14)12(15-2)17-11(16-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 404.05 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66305711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).