N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine

C10H9BrClN5 — CID 81272468

IUPACN-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(Cl)ccc2Br)ncn1
InChIInChI=1S/C10H9BrClN5/c11-7-2-1-6(12)3-8(7)16-9-4-10(17-13)15-5-14-9/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyWBNXEPDTSIALLX-UHFFFAOYSA-N
MW314.57 g/mol
LogP2.92
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine

N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 81272468) has the molecular formula C10H9BrClN5 and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID81272468
Molecular FormulaC10H9BrClN5
Molecular Weight314.57 g/mol
Exact Mass312.97
IUPAC NameN-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(Cl)ccc2Br)ncn1
InChIInChI=1S/C10H9BrClN5/c11-7-2-1-6(12)3-8(7)16-9-4-10(17-13)15-5-14-9/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyWBNXEPDTSIALLX-UHFFFAOYSA-N
XLogP2.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-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-bromo-5-chlorophenyl)hydrazine
CID 58110901
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 107608457
N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80919851
N-(2-bromo-5-chlorophenyl)-3,5-difluoro-6-hydrazinylpyridin-2-amine
CID 114073489
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462
6-hydrazinyl-N-(2-iodophenyl)pyrimidin-4-amine
CID 80926315
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80930315
4-chloro-3-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80926363
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 81272468) is N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2cc(Cl)ccc2Br)ncn1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is WBNXEPDTSIALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5/c11-7-2-1-6(12)3-8(7)16-9-4-10(17-13)15-5-14-9/h1-5H,13H2,(H2,14,15,16,17).
What are the key properties of N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 314.57 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 81272468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).