4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C17H19N5OS — CID 70702032

IUPAC4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCSc1cccc(-c2nc(N3CCOCC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C17H19N5OS/c1-21-16-14(11-18-21)17(22-6-8-23-9-7-22)20-15(19-16)12-4-3-5-13(10-12)24-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyNOPDDMZHXLWVFE-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.59
Rot. Bonds3

About 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 70702032) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID70702032
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCSc1cccc(-c2nc(N3CCOCC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C17H19N5OS/c1-21-16-14(11-18-21)17(22-6-8-23-9-7-22)20-15(19-16)12-4-3-5-13(10-12)24-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyNOPDDMZHXLWVFE-UHFFFAOYSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 70702032) is 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is CSc1cccc(-c2nc(N3CCOCC3)c3cnn(C)c3n2)c1.
What is the InChIKey of 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is NOPDDMZHXLWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21-16-14(11-18-21)17(22-6-8-23-9-7-22)20-15(19-16)12-4-3-5-13(10-12)24-2/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 341.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 70702032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).