4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine

C14H13ClN4S — CID 63221496

IUPAC4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cccc(SCc2nc(Cl)c3cnn(C)c3n2)c1
InChIInChI=1S/C14H13ClN4S/c1-9-4-3-5-10(6-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h3-7H,8H2,1-2H3
InChIKeyUPGQKGIGSMADOB-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.62
Rot. Bonds3

About 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 63221496) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
PubChem CID63221496
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cccc(SCc2nc(Cl)c3cnn(C)c3n2)c1
InChIInChI=1S/C14H13ClN4S/c1-9-4-3-5-10(6-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h3-7H,8H2,1-2H3
InChIKeyUPGQKGIGSMADOB-UHFFFAOYSA-N
XLogP3.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]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-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine (CID 63221496) is 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine is Cc1cccc(SCc2nc(Cl)c3cnn(C)c3n2)c1.
What is the InChIKey of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is UPGQKGIGSMADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-9-4-3-5-10(6-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 304.81 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63221496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).