1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H13N5S — CID 661383

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
InChIInChI=1S/C16H13N5S/c1-2-5-12(6-3-1)21-16-14(10-20-21)15(18-11-19-16)17-9-13-7-4-8-22-13/h1-8,10-11H,9H2,(H,17,18,19)
InChIKeyRBILQSCYUFMHCR-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.49
Rot. Bonds4

About 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661383) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661383
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
InChIInChI=1S/C16H13N5S/c1-2-5-12(6-3-1)21-16-14(10-20-21)15(18-11-19-16)17-9-13-7-4-8-22-13/h1-8,10-11H,9H2,(H,17,18,19)
InChIKeyRBILQSCYUFMHCR-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine 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 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661383) is 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RBILQSCYUFMHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-2-5-12(6-3-1)21-16-14(10-20-21)15(18-11-19-16)17-9-13-7-4-8-22-13/h1-8,10-11H,9H2,(H,17,18,19).
What are the key properties of 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).