N-(2-bromophenyl)-2-chloro-7H-purin-6-amine

C11H7BrClN5 — CID 25168953

IUPACN-(2-bromophenyl)-2-chloro-7H-purin-6-amine
SMILESClc1nc(Nc2ccccc2Br)c2[nH]cnc2n1
InChIInChI=1S/C11H7BrClN5/c12-6-3-1-2-4-7(6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H2,14,15,16,17,18)
InChIKeyZFMFUEVXZJZRLL-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.51
Rot. Bonds2

About N-(2-bromophenyl)-2-chloro-7H-purin-6-amine

N-(2-bromophenyl)-2-chloro-7H-purin-6-amine (PubChem CID 25168953) has the molecular formula C11H7BrClN5 and a molecular weight of 324.57 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-chloro-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-chloro-7H-purin-6-amine
PubChem CID25168953
Molecular FormulaC11H7BrClN5
Molecular Weight324.57 g/mol
Exact Mass322.96
IUPAC NameN-(2-bromophenyl)-2-chloro-7H-purin-6-amine
SMILESClc1nc(Nc2ccccc2Br)c2[nH]cnc2n1
InChIInChI=1S/C11H7BrClN5/c12-6-3-1-2-4-7(6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H2,14,15,16,17,18)
InChIKeyZFMFUEVXZJZRLL-UHFFFAOYSA-N
XLogP3.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-chloro-7H-purin-6-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

3-bromo-4-[(2-chloro-7H-purin-6-yl)amino]benzonitrile
CID 107792464
N-(4-bromo-3-iodophenyl)-2-chloro-7H-purin-6-amine
CID 114261164
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
1-N-(2-chloro-7H-purin-6-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 104787440
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
2-chloro-N-(2,4-dimethoxyphenyl)-7H-purin-6-amine
CID 104787098
2-chloro-N-(2,6-difluoro-3-methylphenyl)-7H-purin-6-amine
CID 104787449
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-chloro-7H-purin-6-amine?
The IUPAC name of N-(2-bromophenyl)-2-chloro-7H-purin-6-amine (CID 25168953) is N-(2-bromophenyl)-2-chloro-7H-purin-6-amine.
What is the SMILES notation for N-(2-bromophenyl)-2-chloro-7H-purin-6-amine?
The canonical SMILES for N-(2-bromophenyl)-2-chloro-7H-purin-6-amine is Clc1nc(Nc2ccccc2Br)c2[nH]cnc2n1.
What is the InChIKey of N-(2-bromophenyl)-2-chloro-7H-purin-6-amine?
The InChIKey is ZFMFUEVXZJZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN5/c12-6-3-1-2-4-7(6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H2,14,15,16,17,18).
What are the key properties of N-(2-bromophenyl)-2-chloro-7H-purin-6-amine?
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine has a molecular weight of 324.57 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-chloro-7H-purin-6-amine is sourced from PubChem (CID 25168953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).