4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile

C11H8Br2N6 — CID 114002825

IUPAC4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(NN)ncc1Br
InChIInChI=1S/C11H8Br2N6/c12-7-2-1-6(4-14)9(3-7)17-10-8(13)5-16-11(18-10)19-15/h1-3,5H,15H2,(H2,16,17,18,19)
InChIKeyMWHGMGPCMQKSGN-UHFFFAOYSA-N
MW384.04 g/mol
LogP2.90
Rot. Bonds3

About 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile

4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 114002825) has the molecular formula C11H8Br2N6 and a molecular weight of 384.04 g/mol. Its IUPAC name is 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
PubChem CID114002825
Molecular FormulaC11H8Br2N6
Molecular Weight384.04 g/mol
Exact Mass381.92
IUPAC Name4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(NN)ncc1Br
InChIInChI=1S/C11H8Br2N6/c12-7-2-1-6(4-14)9(3-7)17-10-8(13)5-16-11(18-10)19-15/h1-3,5H,15H2,(H2,16,17,18,19)
InChIKeyMWHGMGPCMQKSGN-UHFFFAOYSA-N
XLogP2.90
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.04
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595
4-bromo-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801746
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 107802049
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
CID 114002435
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801722
2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
CID 107801738

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile (CID 114002825) is 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile is N#Cc1ccc(Br)cc1Nc1nc(NN)ncc1Br.
What is the InChIKey of 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is MWHGMGPCMQKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N6/c12-7-2-1-6(4-14)9(3-7)17-10-8(13)5-16-11(18-10)19-15/h1-3,5H,15H2,(H2,16,17,18,19).
What are the key properties of 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 384.04 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 114002825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).