N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C11H11BrN6O2 — CID 107581080

IUPACN-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2ncnc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C11H11BrN6O2/c1-6-2-7(12)4-8(3-6)16-10-9(18(19)20)11(17-13)15-5-14-10/h2-5H,13H2,1H3,(H2,14,15,16,17)
InChIKeyGBXJYRROPROGEA-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.48
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 107581080) has the molecular formula C11H11BrN6O2 and a molecular weight of 339.15 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID107581080
Molecular FormulaC11H11BrN6O2
Molecular Weight339.15 g/mol
Exact Mass338.01
IUPAC NameN-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2ncnc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C11H11BrN6O2/c1-6-2-7(12)4-8(3-6)16-10-9(18(19)20)11(17-13)15-5-14-10/h2-5H,13H2,1H3,(H2,14,15,16,17)
InChIKeyGBXJYRROPROGEA-UHFFFAOYSA-N
XLogP2.48
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-(3-bromophenyl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479519
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80920273
N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
N-(5-bromo-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898951
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23479464
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107617966
N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107581086
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22534751
6-N-(2,3-dimethylphenyl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479415
6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 80930058
4-N-(2,5-difluorophenyl)-6-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479539

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 107581080) is N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is Cc1cc(Br)cc(Nc2ncnc(NN)c2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is GBXJYRROPROGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6O2/c1-6-2-7(12)4-8(3-6)16-10-9(18(19)20)11(17-13)15-5-14-10/h2-5H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 339.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 107581080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).