3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol

C12H10FN5O — CID 68894864

IUPAC3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
SMILESCn1nc(-c2cc(O)cc(F)c2)c2cnc(N)nc21
InChIInChI=1S/C12H10FN5O/c1-18-11-9(5-15-12(14)16-11)10(17-18)6-2-7(13)4-8(19)3-6/h2-5,19H,1H3,(H2,14,15,16)
InChIKeyOVGCKPQJYMUBLU-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.46
Rot. Bonds1

About 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol

3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol (PubChem CID 68894864) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol.

Molecular Properties

Compound Name3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
PubChem CID68894864
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
SMILESCn1nc(-c2cc(O)cc(F)c2)c2cnc(N)nc21
InChIInChI=1S/C12H10FN5O/c1-18-11-9(5-15-12(14)16-11)10(17-18)6-2-7(13)4-8(19)3-6/h2-5,19H,1H3,(H2,14,15,16)
InChIKeyOVGCKPQJYMUBLU-UHFFFAOYSA-N
XLogP1.46
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
The IUPAC name of 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol (CID 68894864) is 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol.
What is the SMILES notation for 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
The canonical SMILES for 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol is Cn1nc(-c2cc(O)cc(F)c2)c2cnc(N)nc21.
What is the InChIKey of 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
The InChIKey is OVGCKPQJYMUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-18-11-9(5-15-12(14)16-11)10(17-18)6-2-7(13)4-8(19)3-6/h2-5,19H,1H3,(H2,14,15,16).
What are the key properties of 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol?
3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol has a molecular weight of 259.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol is sourced from PubChem (CID 68894864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).