N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C12H14BrN5 — CID 80920057

IUPACN-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C12H14BrN5/c1-7-5-9(13)3-4-10(7)17-11-6-12(18-14)16-8(2)15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGXBCRAOIAJGQBD-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.89
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80920057) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80920057
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C12H14BrN5/c1-7-5-9(13)3-4-10(7)17-11-6-12(18-14)16-8(2)15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGXBCRAOIAJGQBD-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

6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
4-N-(4-bromo-2-methylphenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867800
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870794
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870959
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
[6-(5-bromo-2-methylanilino)-2-methylpyrimidin-4-yl]cyanamide
CID 115266622
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80898750
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80920057) is N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is GXBCRAOIAJGQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-7-5-9(13)3-4-10(7)17-11-6-12(18-14)16-8(2)15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-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-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80920057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).