N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine

C11H9BrIN3 — CID 66340130

IUPACN-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(Nc2ncncc2I)ccc1Br
InChIInChI=1S/C11H9BrIN3/c1-7-4-8(2-3-9(7)12)16-11-10(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyZUHQKMCWLZJLMH-UHFFFAOYSA-N
MW390.02 g/mol
LogP3.90
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66340130) has the molecular formula C11H9BrIN3 and a molecular weight of 390.02 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66340130
Molecular FormulaC11H9BrIN3
Molecular Weight390.02 g/mol
Exact Mass388.90
IUPAC NameN-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(Nc2ncncc2I)ccc1Br
InChIInChI=1S/C11H9BrIN3/c1-7-4-8(2-3-9(7)12)16-11-10(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyZUHQKMCWLZJLMH-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-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

N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
N-(4-bromo-2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66318194
N-(3-fluoro-5-methylphenyl)-5-iodopyrimidin-4-amine
CID 79046105
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66342395
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
5-iodo-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66341010

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine (CID 66340130) is N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine is Cc1cc(Nc2ncncc2I)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is ZUHQKMCWLZJLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrIN3/c1-7-4-8(2-3-9(7)12)16-11-10(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 390.02 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66340130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).