N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C13H16BrN5 — CID 80930862

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H16BrN5/c1-7-4-10(14)5-8(2)11(7)17-12-9(3)6-16-13(18-12)19-15/h4-6H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyWMWZBYKXZHMAGL-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.19
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80930862) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80930862
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H16BrN5/c1-7-4-10(14)5-8(2)11(7)17-12-9(3)6-16-13(18-12)19-15/h4-6H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyWMWZBYKXZHMAGL-UHFFFAOYSA-N
XLogP3.19
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.19
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-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-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

N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80846756
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80930783
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80930862) is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cnc(NN)nc1Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is WMWZBYKXZHMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-7-4-10(14)5-8(2)11(7)17-12-9(3)6-16-13(18-12)19-15/h4-6H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80930862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).