N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine

C10H6BrClIN3 — CID 116649026

IUPACN-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
SMILESClc1ccc(Nc2ncc(I)cn2)c(Br)c1
InChIInChI=1S/C10H6BrClIN3/c11-8-3-6(12)1-2-9(8)16-10-14-4-7(13)5-15-10/h1-5H,(H,14,15,16)
InChIKeyUNICNKMZGVLAMS-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.24
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine

N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine (PubChem CID 116649026) has the molecular formula C10H6BrClIN3 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
PubChem CID116649026
Molecular FormulaC10H6BrClIN3
Molecular Weight410.44 g/mol
Exact Mass408.85
IUPAC NameN-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
SMILESClc1ccc(Nc2ncc(I)cn2)c(Br)c1
InChIInChI=1S/C10H6BrClIN3/c11-8-3-6(12)1-2-9(8)16-10-14-4-7(13)5-15-10/h1-5H,(H,14,15,16)
InChIKeyUNICNKMZGVLAMS-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-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

5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine
CID 116648816
N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 142777197
2-(2-bromo-4-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68621429
N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
CID 116648838
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
CID 83265167
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747938

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine (CID 116649026) is N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine is Clc1ccc(Nc2ncc(I)cn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine?
The InChIKey is UNICNKMZGVLAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClIN3/c11-8-3-6(12)1-2-9(8)16-10-14-4-7(13)5-15-10/h1-5H,(H,14,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine?
N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine has a molecular weight of 410.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116649026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).