2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine

C11H8BrClIN3 — CID 114077251

IUPAC2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cc(Br)ccc2Cl)nc(N)c1I
InChIInChI=1S/C11H8BrClIN3/c1-5-9(14)10(15)17-11(16-5)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H2,15,16,17)
InChIKeyKNFLQPZNFNYDSO-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.05
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine

2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 114077251) has the molecular formula C11H8BrClIN3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
PubChem CID114077251
Molecular FormulaC11H8BrClIN3
Molecular Weight424.47 g/mol
Exact Mass422.86
IUPAC Name2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cc(Br)ccc2Cl)nc(N)c1I
InChIInChI=1S/C11H8BrClIN3/c1-5-9(14)10(15)17-11(16-5)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H2,15,16,17)
InChIKeyKNFLQPZNFNYDSO-UHFFFAOYSA-N
XLogP4.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66295536
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(3-bromo-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 105410430
2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66423699
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 112751747
2-(4-bromo-2-chlorophenyl)quinazolin-4-amine
CID 62175155
6-bromo-2-(2-chlorophenyl)quinazolin-4-amine
CID 64983536
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
5-bromo-2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66303833

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine (CID 114077251) is 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine is Cc1nc(-c2cc(Br)ccc2Cl)nc(N)c1I.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is KNFLQPZNFNYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClIN3/c1-5-9(14)10(15)17-11(16-5)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 424.47 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).