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

C14H15FN6 — CID 82682481

IUPAC5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
SMILESCC(C)c1nc(NN)cc(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C14H15FN6/c1-8(2)14-19-12(6-13(20-14)21-17)18-11-4-3-10(15)5-9(11)7-16/h3-6,8H,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyPLEZYHFXICLJGC-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.64
Rot. Bonds4

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

5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 82682481) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
PubChem CID82682481
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
SMILESCC(C)c1nc(NN)cc(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C14H15FN6/c1-8(2)14-19-12(6-13(20-14)21-17)18-11-4-3-10(15)5-9(11)7-16/h3-6,8H,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyPLEZYHFXICLJGC-UHFFFAOYSA-N
XLogP2.64
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.64
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

6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
CID 82016345
2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80963733
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
5-fluoro-2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]benzonitrile
CID 82682483
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968585
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-[(6-aminoquinolin-2-yl)amino]-5-fluorobenzonitrile
CID 82012937
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684894
2-[[6-(1-aminoethyl)-5-fluoro-3-pyridinyl]amino]-5-fluorobenzonitrile
CID 59496426
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile (CID 82682481) is 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile is CC(C)c1nc(NN)cc(Nc2ccc(F)cc2C#N)n1.
What is the InChIKey of 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is PLEZYHFXICLJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-8(2)14-19-12(6-13(20-14)21-17)18-11-4-3-10(15)5-9(11)7-16/h3-6,8H,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile?
5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.64, 4 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-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 82682481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).