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

C14H15FN6 — CID 82683530

IUPAC5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1c(NN)ncnc1Nc1ccc(F)cc1C#N
InChIInChI=1S/C14H15FN6/c1-2-3-11-13(18-8-19-14(11)21-17)20-12-5-4-10(15)6-9(12)7-16/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyQPMJPALMSSRANE-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.47
Rot. Bonds5

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

5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 82683530) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
PubChem CID82683530
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1c(NN)ncnc1Nc1ccc(F)cc1C#N
InChIInChI=1S/C14H15FN6/c1-2-3-11-13(18-8-19-14(11)21-17)20-12-5-4-10(15)6-9(12)7-16/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyQPMJPALMSSRANE-UHFFFAOYSA-N
XLogP2.47
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile (CID 82683530) is 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile is CCCc1c(NN)ncnc1Nc1ccc(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is QPMJPALMSSRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-2-3-11-13(18-8-19-14(11)21-17)20-12-5-4-10(15)6-9(12)7-16/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile?
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 82683530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).