1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H18N4OS — CID 135419220

IUPAC1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCSc1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C16H18N4OS/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21)
InChIKeyXVEYMYLVVYMSTG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.13
Rot. Bonds4

About 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135419220) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135419220
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCSc1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C16H18N4OS/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21)
InChIKeyXVEYMYLVVYMSTG-UHFFFAOYSA-N
XLogP3.13
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one 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 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135419220) is 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCSc1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XVEYMYLVVYMSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21).
What are the key properties of 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-propylsulfanylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135419220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).