1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

C19H17N5OS — CID 24957876

IUPAC1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1ccc(-n2ncc3cnc(Nc4ccc(SC)cc4)nc32)cc1
InChIInChI=1S/C19H17N5OS/c1-25-16-7-5-15(6-8-16)24-18-13(12-21-24)11-20-19(23-18)22-14-3-9-17(26-2)10-4-14/h3-12H,1-2H3,(H,20,22,23)
InChIKeyCUGFPQWKFARRJQ-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.29
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 24957876) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID24957876
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1ccc(-n2ncc3cnc(Nc4ccc(SC)cc4)nc32)cc1
InChIInChI=1S/C19H17N5OS/c1-25-16-7-5-15(6-8-16)24-18-13(12-21-24)11-20-19(23-18)22-14-3-9-17(26-2)10-4-14/h3-12H,1-2H3,(H,20,22,23)
InChIKeyCUGFPQWKFARRJQ-UHFFFAOYSA-N
XLogP4.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 24957876) is 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine is COc1ccc(-n2ncc3cnc(Nc4ccc(SC)cc4)nc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is CUGFPQWKFARRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-25-16-7-5-15(6-8-16)24-18-13(12-21-24)11-20-19(23-18)22-14-3-9-17(26-2)10-4-14/h3-12H,1-2H3,(H,20,22,23).
What are the key properties of 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 363.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 24957876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).