4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile

C14H13N7 — CID 107795475

IUPAC4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
SMILESCc1nc(NN)c(C)c(Nc2ccc(C#N)c(C#N)c2)n1
InChIInChI=1S/C14H13N7/c1-8-13(18-9(2)19-14(8)21-17)20-12-4-3-10(6-15)11(5-12)7-16/h3-5H,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyYFOPDVDMFGFHAV-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.87
Rot. Bonds3

About 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile

4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile (PubChem CID 107795475) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
PubChem CID107795475
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
SMILESCc1nc(NN)c(C)c(Nc2ccc(C#N)c(C#N)c2)n1
InChIInChI=1S/C14H13N7/c1-8-13(18-9(2)19-14(8)21-17)20-12-4-3-10(6-15)11(5-12)7-16/h3-5H,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyYFOPDVDMFGFHAV-UHFFFAOYSA-N
XLogP1.87
TPSA123.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile (CID 107795475) is 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile is Cc1nc(NN)c(C)c(Nc2ccc(C#N)c(C#N)c2)n1.
What is the InChIKey of 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
The InChIKey is YFOPDVDMFGFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-8-13(18-9(2)19-14(8)21-17)20-12-4-3-10(6-15)11(5-12)7-16/h3-5H,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile has a molecular weight of 279.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107795475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).