4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine

C15H16N4S — CID 16729531

IUPAC4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine
SMILESCCCn1ncc2c(SCc3ccccc3)ncnc21
InChIInChI=1S/C15H16N4S/c1-2-8-19-14-13(9-18-19)15(17-11-16-14)20-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyYSDCJDBZZMLXKN-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.53
Rot. Bonds5

About 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine

4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine (PubChem CID 16729531) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine
PubChem CID16729531
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine
SMILESCCCn1ncc2c(SCc3ccccc3)ncnc21
InChIInChI=1S/C15H16N4S/c1-2-8-19-14-13(9-18-19)15(17-11-16-14)20-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyYSDCJDBZZMLXKN-UHFFFAOYSA-N
XLogP3.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine (CID 16729531) is 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine is CCCn1ncc2c(SCc3ccccc3)ncnc21.
What is the InChIKey of 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
The InChIKey is YSDCJDBZZMLXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-8-19-14-13(9-18-19)15(17-11-16-14)20-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine has a molecular weight of 284.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).