5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol

C13H13N5O2 — CID 24905291

IUPAC5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C13H13N5O2/c1-18-13-10(12(14)15-6-16-13)11(17-18)7-3-4-9(20-2)8(19)5-7/h3-6,19H,1-2H3,(H2,14,15,16)
InChIKeyDINPOPQNCDTVPQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.33
Rot. Bonds2

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol (PubChem CID 24905291) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
PubChem CID24905291
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C13H13N5O2/c1-18-13-10(12(14)15-6-16-13)11(17-18)7-3-4-9(20-2)8(19)5-7/h3-6,19H,1-2H3,(H2,14,15,16)
InChIKeyDINPOPQNCDTVPQ-UHFFFAOYSA-N
XLogP1.33
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol?
The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol (CID 24905291) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol?
The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol is COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O.
What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol?
The InChIKey is DINPOPQNCDTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-18-13-10(12(14)15-6-16-13)11(17-18)7-3-4-9(20-2)8(19)5-7/h3-6,19H,1-2H3,(H2,14,15,16).
What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol?
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol has a molecular weight of 271.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol is sourced from PubChem (CID 24905291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).