2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine

C12H8Cl2N4S — CID 169100534

IUPAC2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
SMILESCSc1ncc2cn(-c3cccc(Cl)c3Cl)nc2n1
InChIInChI=1S/C12H8Cl2N4S/c1-19-12-15-5-7-6-18(17-11(7)16-12)9-4-2-3-8(13)10(9)14/h2-6H,1H3
InChIKeyCJYOZDLVIRPYGT-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.84
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine

2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine (PubChem CID 169100534) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
PubChem CID169100534
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
SMILESCSc1ncc2cn(-c3cccc(Cl)c3Cl)nc2n1
InChIInChI=1S/C12H8Cl2N4S/c1-19-12-15-5-7-6-18(17-11(7)16-12)9-4-2-3-8(13)10(9)14/h2-6H,1H3
InChIKeyCJYOZDLVIRPYGT-UHFFFAOYSA-N
XLogP3.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine (CID 169100534) is 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine is CSc1ncc2cn(-c3cccc(Cl)c3Cl)nc2n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine?
The InChIKey is CJYOZDLVIRPYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c1-19-12-15-5-7-6-18(17-11(7)16-12)9-4-2-3-8(13)10(9)14/h2-6H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine?
2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine has a molecular weight of 311.20 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 169100534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).