2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

C15H26ClN5 — CID 67144400

IUPAC2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCCCCCCCCCCn1cc2c(N)ncnc2n1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20;/h11-12H,2-10H2,1H3,(H2,16,17,18,19);1H
InChIKeyJNTGFYZBLKICFU-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.97
Rot. Bonds9

About 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 67144400) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID67144400
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCCCCCCCCCCn1cc2c(N)ncnc2n1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20;/h11-12H,2-10H2,1H3,(H2,16,17,18,19);1H
InChIKeyJNTGFYZBLKICFU-UHFFFAOYSA-N
XLogP3.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 67144400) is 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is CCCCCCCCCCn1cc2c(N)ncnc2n1.Cl.
What is the InChIKey of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is JNTGFYZBLKICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20;/h11-12H,2-10H2,1H3,(H2,16,17,18,19);1H.
What are the key properties of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 67144400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).