3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol

C14H23N5O — CID 11482813

IUPAC3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cc2c(N)ncnc2n1
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-12(10(2)20)19-8-11-13(15)16-9-17-14(11)18-19/h8-10,12,20H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyPSAZDCCGGKBZJY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.30
Rot. Bonds7

About 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol

3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol (PubChem CID 11482813) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol.

Molecular Properties

Compound Name3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol
PubChem CID11482813
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cc2c(N)ncnc2n1
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-12(10(2)20)19-8-11-13(15)16-9-17-14(11)18-19/h8-10,12,20H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyPSAZDCCGGKBZJY-UHFFFAOYSA-N
XLogP2.30
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.30
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 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol?
The IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol (CID 11482813) is 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol.
What is the SMILES notation for 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol?
The canonical SMILES for 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol is CCCCCCC(C(C)O)n1cc2c(N)ncnc2n1.
What is the InChIKey of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol?
The InChIKey is PSAZDCCGGKBZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-4-5-6-7-12(10(2)20)19-8-11-13(15)16-9-17-14(11)18-19/h8-10,12,20H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol?
3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol has a molecular weight of 277.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol is sourced from PubChem (CID 11482813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).