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

C11H15N5O3 — CID 71053153

IUPAC(2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1nn([C@H]2CC(O)[C@@H](CO)O2)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O3/c1-5-9-10(12)13-4-14-11(9)16(15-5)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3H2,1H3,(H2,12,13,14)/t6?,7-,8-/m1/s1
InChIKeySLYZGQSBBJXRDB-SPDVFEMOSA-N
MW265.27 g/mol
LogP-0.64
Rot. Bonds2

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

(2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71053153) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71053153
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1nn([C@H]2CC(O)[C@@H](CO)O2)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O3/c1-5-9-10(12)13-4-14-11(9)16(15-5)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3H2,1H3,(H2,12,13,14)/t6?,7-,8-/m1/s1
InChIKeySLYZGQSBBJXRDB-SPDVFEMOSA-N
XLogP-0.64
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 71053153) is (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is Cc1nn([C@H]2CC(O)[C@@H](CO)O2)c2ncnc(N)c12.
What is the InChIKey of (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SLYZGQSBBJXRDB-SPDVFEMOSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-5-9-10(12)13-4-14-11(9)16(15-5)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3H2,1H3,(H2,12,13,14)/t6?,7-,8-/m1/s1.
What are the key properties of (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71053153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).