6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5S — CID 11840819

IUPAC6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H15N5S/c1-24-18-21-16(20-13-8-4-2-5-9-13)15-12-19-23(17(15)22-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,20,21,22)
InChIKeyKXCXXUVXXCZKDM-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.28
Rot. Bonds4

About 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine

6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11840819) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11840819
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H15N5S/c1-24-18-21-16(20-13-8-4-2-5-9-13)15-12-19-23(17(15)22-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,20,21,22)
InChIKeyKXCXXUVXXCZKDM-UHFFFAOYSA-N
XLogP4.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11840819) is 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine is CSc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KXCXXUVXXCZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-24-18-21-16(20-13-8-4-2-5-9-13)15-12-19-23(17(15)22-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,20,21,22).
What are the key properties of 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11840819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).