N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C11H12BrN5 — CID 80927485

IUPACN-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN5/c1-7-6-14-11(17-13)16-10(7)15-9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyVXIDDRNSQWYXQL-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.58
Rot. Bonds3

About N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80927485) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80927485
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC NameN-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN5/c1-7-6-14-11(17-13)16-10(7)15-9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyVXIDDRNSQWYXQL-UHFFFAOYSA-N
XLogP2.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.58
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-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
2-[4-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80908431
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 71158953
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80927485) is N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cnc(NN)nc1Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is VXIDDRNSQWYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-7-6-14-11(17-13)16-10(7)15-9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 294.16 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80927485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).