(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol

C10H11N5O — CID 10584870

IUPAC(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
SMILESNc1ncnc2c1cnn2[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C10H11N5O/c11-9-8-4-14-15(10(8)13-5-12-9)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKeyFXNPXDQZWDZUDN-RQJHMYQMSA-N
MW217.23 g/mol
LogP0.27
Rot. Bonds1

About (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol

(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol (PubChem CID 10584870) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
PubChem CID10584870
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
SMILESNc1ncnc2c1cnn2[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C10H11N5O/c11-9-8-4-14-15(10(8)13-5-12-9)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKeyFXNPXDQZWDZUDN-RQJHMYQMSA-N
XLogP0.27
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392
(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872
(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol
CID 10823523
(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
CID 59796188
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
(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)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
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
6-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 584565
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175893683

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol (CID 10584870) is (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol is Nc1ncnc2c1cnn2[C@@H]1C=C[C@H](O)C1.
What is the InChIKey of (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol?
The InChIKey is FXNPXDQZWDZUDN-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H11N5O/c11-9-8-4-14-15(10(8)13-5-12-9)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m1/s1.
What are the key properties of (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol?
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol has a molecular weight of 217.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 10584870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).