5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine

C11H11Br2N5 — CID 80930663

IUPAC5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2nc(NN)ncc2Br)c(Br)c1
InChIInChI=1S/C11H11Br2N5/c1-6-2-3-9(7(12)4-6)16-10-8(13)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyRBUIMNDNUMQFIS-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine

5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80930663) has the molecular formula C11H11Br2N5 and a molecular weight of 373.05 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80930663
Molecular FormulaC11H11Br2N5
Molecular Weight373.05 g/mol
Exact Mass370.94
IUPAC Name5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2nc(NN)ncc2Br)c(Br)c1
InChIInChI=1S/C11H11Br2N5/c1-6-2-3-9(7(12)4-6)16-10-8(13)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyRBUIMNDNUMQFIS-UHFFFAOYSA-N
XLogP3.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.34
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

5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80929812
N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335513
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
CID 114046080
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80930663) is 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1ccc(Nc2nc(NN)ncc2Br)c(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is RBUIMNDNUMQFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N5/c1-6-2-3-9(7(12)4-6)16-10-8(13)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 373.05 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80930663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).