2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol

C16H14N6OS — CID 146270334

IUPAC2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(Cn2cc3c(N)nc(-c4ccsn4)nc3n2)c1
InChIInChI=1S/C16H14N6OS/c1-9-2-3-13(23)10(6-9)7-22-8-11-14(17)18-16(19-15(11)20-22)12-4-5-24-21-12/h2-6,8,23H,7H2,1H3,(H2,17,18,19,20)
InChIKeyJBUYCDVMECGFJT-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.59
Rot. Bonds3

About 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol

2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol (PubChem CID 146270334) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol
PubChem CID146270334
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(Cn2cc3c(N)nc(-c4ccsn4)nc3n2)c1
InChIInChI=1S/C16H14N6OS/c1-9-2-3-13(23)10(6-9)7-22-8-11-14(17)18-16(19-15(11)20-22)12-4-5-24-21-12/h2-6,8,23H,7H2,1H3,(H2,17,18,19,20)
InChIKeyJBUYCDVMECGFJT-UHFFFAOYSA-N
XLogP2.59
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol 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-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
The IUPAC name of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol (CID 146270334) is 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
The canonical SMILES for 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol is Cc1ccc(O)c(Cn2cc3c(N)nc(-c4ccsn4)nc3n2)c1.
What is the InChIKey of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
The InChIKey is JBUYCDVMECGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-9-2-3-13(23)10(6-9)7-22-8-11-14(17)18-16(19-15(11)20-22)12-4-5-24-21-12/h2-6,8,23H,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol has a molecular weight of 338.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol is sourced from PubChem (CID 146270334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).