4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine

C14H12Cl2N4S — CID 103288170

IUPAC4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(CSCc3ccccc3Cl)nc21
InChIInChI=1S/C14H12Cl2N4S/c1-20-14-10(6-17-20)13(16)18-12(19-14)8-21-7-9-4-2-3-5-11(9)15/h2-6H,7-8H2,1H3
InChIKeyYAGLMZJDZOZWIF-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.10
Rot. Bonds4

About 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine

4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 103288170) has the molecular formula C14H12Cl2N4S and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID103288170
Molecular FormulaC14H12Cl2N4S
Molecular Weight339.25 g/mol
Exact Mass338.02
IUPAC Name4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(CSCc3ccccc3Cl)nc21
InChIInChI=1S/C14H12Cl2N4S/c1-20-14-10(6-17-20)13(16)18-12(19-14)8-21-7-9-4-2-3-5-11(9)15/h2-6H,7-8H2,1H3
InChIKeyYAGLMZJDZOZWIF-UHFFFAOYSA-N
XLogP4.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 103288170) is 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Cl)nc(CSCc3ccccc3Cl)nc21.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is YAGLMZJDZOZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4S/c1-20-14-10(6-17-20)13(16)18-12(19-14)8-21-7-9-4-2-3-5-11(9)15/h2-6H,7-8H2,1H3.
What are the key properties of 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 339.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 103288170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).