N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C12H14BrN5 — CID 107581065

IUPACN-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2nc(NN)ncc2C)c1
InChIInChI=1S/C12H14BrN5/c1-7-3-9(13)5-10(4-7)16-11-8(2)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKVJBNDRUWQTXGB-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.89
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 107581065) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID107581065
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2nc(NN)ncc2C)c1
InChIInChI=1S/C12H14BrN5/c1-7-3-9(13)5-10(4-7)16-11-8(2)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKVJBNDRUWQTXGB-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.89
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-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412715
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 143453199
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
4-N-(3-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 107580882
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 107581065) is N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cc(Br)cc(Nc2nc(NN)ncc2C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is KVJBNDRUWQTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-7-3-9(13)5-10(4-7)16-11-8(2)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).