4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile

C14H15BrN6 — CID 107802049

IUPAC4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1c(NN)ncnc1Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H15BrN6/c1-2-3-11-13(18-8-19-14(11)21-17)20-12-6-10(15)5-4-9(12)7-16/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyGQWPUVSIVDCZOI-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.09
Rot. Bonds5

About 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile

4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 107802049) has the molecular formula C14H15BrN6 and a molecular weight of 347.22 g/mol. Its IUPAC name is 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
PubChem CID107802049
Molecular FormulaC14H15BrN6
Molecular Weight347.22 g/mol
Exact Mass346.05
IUPAC Name4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1c(NN)ncnc1Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H15BrN6/c1-2-3-11-13(18-8-19-14(11)21-17)20-12-6-10(15)5-4-9(12)7-16/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyGQWPUVSIVDCZOI-UHFFFAOYSA-N
XLogP3.09
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.09
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

N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002825
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80759951
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
1-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761113
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134
4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 107795065
4-bromo-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]benzonitrile
CID 107801750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile (CID 107802049) is 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile is CCCc1c(NN)ncnc1Nc1cc(Br)ccc1C#N.
What is the InChIKey of 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is GQWPUVSIVDCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6/c1-2-3-11-13(18-8-19-14(11)21-17)20-12-6-10(15)5-4-9(12)7-16/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 347.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 107802049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).