2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine

C11H9BrIN3 — CID 66301471

IUPAC2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2Br)ncc1I
InChIInChI=1S/C11H9BrIN3/c1-14-11-9(13)6-15-10(16-11)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,14,15,16)
InChIKeyOJDANPXTJOOBRE-UHFFFAOYSA-N
MW390.02 g/mol
LogP3.55
Rot. Bonds2

About 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine

2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66301471) has the molecular formula C11H9BrIN3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66301471
Molecular FormulaC11H9BrIN3
Molecular Weight390.02 g/mol
Exact Mass388.90
IUPAC Name2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2Br)ncc1I
InChIInChI=1S/C11H9BrIN3/c1-14-11-9(13)6-15-10(16-11)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,14,15,16)
InChIKeyOJDANPXTJOOBRE-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 53.55
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-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine (CID 66301471) is 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(-c2ccccc2Br)ncc1I.
What is the InChIKey of 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is OJDANPXTJOOBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrIN3/c1-14-11-9(13)6-15-10(16-11)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine?
2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 390.02 g/mol, XLogP of 3.55, 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-methylpyrimidin-4-amine is sourced from PubChem (CID 66301471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).