5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile

C11H10FN7 — CID 80908581

IUPAC5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2cc(NN)nc(N)n2)ccc1F
InChIInChI=1S/C11H10FN7/c12-8-2-1-7(3-6(8)5-13)16-9-4-10(19-15)18-11(14)17-9/h1-4H,15H2,(H4,14,16,17,18,19)
InChIKeyRIDNHQCFIAFYKA-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.10
Rot. Bonds3

About 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile

5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile (PubChem CID 80908581) has the molecular formula C11H10FN7 and a molecular weight of 259.25 g/mol. Its IUPAC name is 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
PubChem CID80908581
Molecular FormulaC11H10FN7
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2cc(NN)nc(N)n2)ccc1F
InChIInChI=1S/C11H10FN7/c12-8-2-1-7(3-6(8)5-13)16-9-4-10(19-15)18-11(14)17-9/h1-4H,15H2,(H4,14,16,17,18,19)
InChIKeyRIDNHQCFIAFYKA-UHFFFAOYSA-N
XLogP1.10
TPSA125.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.10
H-Bond Donors ≤ 54
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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Related Compounds

5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107795039
5-[(6-chloro-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 63587476
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
5-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80827082
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
5-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80902716
5-(3-amino-5-fluoroanilino)-2-fluorobenzonitrile
CID 55057774
5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 55057972
5-anilino-2-fluorobenzonitrile
CID 166901089

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile (CID 80908581) is 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile is N#Cc1cc(Nc2cc(NN)nc(N)n2)ccc1F.
What is the InChIKey of 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile?
The InChIKey is RIDNHQCFIAFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN7/c12-8-2-1-7(3-6(8)5-13)16-9-4-10(19-15)18-11(14)17-9/h1-4H,15H2,(H4,14,16,17,18,19).
What are the key properties of 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile?
5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile has a molecular weight of 259.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 80908581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).