5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

C11H16N6O3 — CID 70870710

IUPAC5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1nn(C2CC(O)C(CO)O2)c2nc(N)nc(N)c12
InChIInChI=1S/C11H16N6O3/c1-4-8-9(12)14-11(13)15-10(8)17(16-4)7-2-5(19)6(3-18)20-7/h5-7,18-19H,2-3H2,1H3,(H4,12,13,14,15)
InChIKeyNYZCOYLKDIYCHX-UHFFFAOYSA-N
MW280.29 g/mol
LogP-1.06
Rot. Bonds2

About 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 70870710) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID70870710
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1nn(C2CC(O)C(CO)O2)c2nc(N)nc(N)c12
InChIInChI=1S/C11H16N6O3/c1-4-8-9(12)14-11(13)15-10(8)17(16-4)7-2-5(19)6(3-18)20-7/h5-7,18-19H,2-3H2,1H3,(H4,12,13,14,15)
InChIKeyNYZCOYLKDIYCHX-UHFFFAOYSA-N
XLogP-1.06
TPSA145.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 70870710) is 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is Cc1nn(C2CC(O)C(CO)O2)c2nc(N)nc(N)c12.
What is the InChIKey of 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is NYZCOYLKDIYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-4-8-9(12)14-11(13)15-10(8)17(16-4)7-2-5(19)6(3-18)20-7/h5-7,18-19H,2-3H2,1H3,(H4,12,13,14,15).
What are the key properties of 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 280.29 g/mol, XLogP of -1.06, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 70870710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).