4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine

C10H13ClN4OS — CID 149410521

IUPAC4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCOCn1ncc2c(Cl)nc(SC)nc21
InChIInChI=1S/C10H13ClN4OS/c1-3-4-16-6-15-9-7(5-12-15)8(11)13-10(14-9)17-2/h5H,3-4,6H2,1-2H3
InChIKeyYRDUBAZVTODQOV-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.59
Rot. Bonds5

About 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine

4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 149410521) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID149410521
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCOCn1ncc2c(Cl)nc(SC)nc21
InChIInChI=1S/C10H13ClN4OS/c1-3-4-16-6-15-9-7(5-12-15)8(11)13-10(14-9)17-2/h5H,3-4,6H2,1-2H3
InChIKeyYRDUBAZVTODQOV-UHFFFAOYSA-N
XLogP2.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine 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 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine (CID 149410521) is 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine is CCCOCn1ncc2c(Cl)nc(SC)nc21.
What is the InChIKey of 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is YRDUBAZVTODQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c1-3-4-16-6-15-9-7(5-12-15)8(11)13-10(14-9)17-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 272.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylsulfanyl-1-(propoxymethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 149410521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).