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

C13H16BrN5 — CID 80930783

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(C)cc(Br)cc2C)nc(NN)n1
InChIInChI=1S/C13H16BrN5/c1-7-4-10(14)5-8(2)12(7)17-11-6-9(3)16-13(18-11)19-15/h4-6H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyPQIDBPYHZZDXOC-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.19
Rot. Bonds3

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

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 80930783) 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-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID80930783
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(C)cc(Br)cc2C)nc(NN)n1
InChIInChI=1S/C13H16BrN5/c1-7-4-10(14)5-8(2)12(7)17-11-6-9(3)16-13(18-11)19-15/h4-6H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyPQIDBPYHZZDXOC-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'}

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
2-N-(3-bromophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928396
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919313
4-N-(4-bromophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928421
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80926388
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80925833
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 80930783) is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine is Cc1cc(Nc2c(C)cc(Br)cc2C)nc(NN)n1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is PQIDBPYHZZDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-7-4-10(14)5-8(2)12(7)17-11-6-9(3)16-13(18-11)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-6-methylpyrimidin-4-amine?
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-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-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80930783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).