2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine

C11H8BrClIN3 — CID 66295504

IUPAC2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Cl)ccc2Br)ncc1I
InChIInChI=1S/C11H8BrClIN3/c1-15-11-9(14)5-16-10(17-11)7-4-6(13)2-3-8(7)12/h2-5H,1H3,(H,15,16,17)
InChIKeyIYEHPZYUFHDTIZ-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.21
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine

2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66295504) has the molecular formula C11H8BrClIN3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66295504
Molecular FormulaC11H8BrClIN3
Molecular Weight424.47 g/mol
Exact Mass422.86
IUPAC Name2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Cl)ccc2Br)ncc1I
InChIInChI=1S/C11H8BrClIN3/c1-15-11-9(14)5-16-10(17-11)7-4-6(13)2-3-8(7)12/h2-5H,1H3,(H,15,16,17)
InChIKeyIYEHPZYUFHDTIZ-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.21
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-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine (CID 66295504) is 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(-c2cc(Cl)ccc2Br)ncc1I.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is IYEHPZYUFHDTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClIN3/c1-15-11-9(14)5-16-10(17-11)7-4-6(13)2-3-8(7)12/h2-5H,1H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 424.47 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66295504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).