2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile

C12H8FN7 — CID 82684894

IUPAC2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C12H8FN7/c13-7-1-2-9(6(3-7)4-14)17-10-8-5-16-20-11(8)19-12(15)18-10/h1-3,5H,(H4,15,16,17,18,19,20)
InChIKeyYGYQBUJQWNJFFN-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.69
Rot. Bonds2

About 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile

2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile (PubChem CID 82684894) has the molecular formula C12H8FN7 and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
PubChem CID82684894
Molecular FormulaC12H8FN7
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C12H8FN7/c13-7-1-2-9(6(3-7)4-14)17-10-8-5-16-20-11(8)19-12(15)18-10/h1-3,5H,(H4,15,16,17,18,19,20)
InChIKeyYGYQBUJQWNJFFN-UHFFFAOYSA-N
XLogP1.69
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 103335500
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 42226838
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 56706662
5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 82682481

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile (CID 82684894) is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The InChIKey is YGYQBUJQWNJFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN7/c13-7-1-2-9(6(3-7)4-14)17-10-8-5-16-20-11(8)19-12(15)18-10/h1-3,5H,(H4,15,16,17,18,19,20).
What are the key properties of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile?
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile has a molecular weight of 269.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 82684894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).