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

C15H25N5O — CID 11358280

IUPAC(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol
SMILESCCCCCCCC[C@H](O)Cn1cc2c(N)ncnc2n1
InChIInChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyAHEGQNDGYVLQET-LBPRGKRZSA-N
MW291.40 g/mol
LogP2.52
Rot. Bonds9

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

(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol (PubChem CID 11358280) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol
PubChem CID11358280
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol
SMILESCCCCCCCC[C@H](O)Cn1cc2c(N)ncnc2n1
InChIInChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyAHEGQNDGYVLQET-LBPRGKRZSA-N
XLogP2.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol?
The IUPAC name of (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol (CID 11358280) is (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol.
What is the SMILES notation for (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol?
The canonical SMILES for (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol is CCCCCCCC[C@H](O)Cn1cc2c(N)ncnc2n1.
What is the InChIKey of (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol?
The InChIKey is AHEGQNDGYVLQET-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol?
(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol has a molecular weight of 291.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol is sourced from PubChem (CID 11358280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).