(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol

C10H13N5O2 — CID 59796188

IUPAC(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
SMILESNc1ncnc2c1cnn2C1CC(O)[C@H]1CO
InChIInChI=1S/C10H13N5O2/c11-9-5-2-14-15(10(5)13-4-12-9)7-1-8(17)6(7)3-16/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7?,8?/m0/s1
InChIKeyQJEYKBBKJDSJSV-KKMMWDRVSA-N
MW235.25 g/mol
LogP-0.68
Rot. Bonds2

About (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol

(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol (PubChem CID 59796188) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
PubChem CID59796188
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
SMILESNc1ncnc2c1cnn2C1CC(O)[C@H]1CO
InChIInChI=1S/C10H13N5O2/c11-9-5-2-14-15(10(5)13-4-12-9)7-1-8(17)6(7)3-16/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7?,8?/m0/s1
InChIKeyQJEYKBBKJDSJSV-KKMMWDRVSA-N
XLogP-0.68
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392
(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol
CID 10823523
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175893683
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
1-[(3aS,4R,6S,6aR)-6-[(4-chlorophenyl)methyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 135319118
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141059458
[(E)-2-[(2R,3S,4R,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethenyl]phosphonic acid
CID 25152538
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol?
The IUPAC name of (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol (CID 59796188) is (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol.
What is the SMILES notation for (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol?
The canonical SMILES for (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol is Nc1ncnc2c1cnn2C1CC(O)[C@H]1CO.
What is the InChIKey of (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol?
The InChIKey is QJEYKBBKJDSJSV-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9-5-2-14-15(10(5)13-4-12-9)7-1-8(17)6(7)3-16/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7?,8?/m0/s1.
What are the key properties of (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol?
(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol has a molecular weight of 235.25 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 59796188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).