4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine

C16H17FN6S — CID 42667995

IUPAC4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCSCC3)nc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C16H17FN6S/c1-22-14(18)12-13(10-2-4-11(17)5-3-10)19-16(20-15(12)21-22)23-6-8-24-9-7-23/h2-5H,6-9,18H2,1H3
InChIKeyDMNGTSLGAPPSHR-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine

4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667995) has the molecular formula C16H17FN6S and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667995
Molecular FormulaC16H17FN6S
Molecular Weight344.42 g/mol
Exact Mass344.12
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCSCC3)nc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C16H17FN6S/c1-22-14(18)12-13(10-2-4-11(17)5-3-10)19-16(20-15(12)21-22)23-6-8-24-9-7-23/h2-5H,6-9,18H2,1H3
InChIKeyDMNGTSLGAPPSHR-UHFFFAOYSA-N
XLogP2.30
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42667995) is 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(N3CCSCC3)nc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is DMNGTSLGAPPSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6S/c1-22-14(18)12-13(10-2-4-11(17)5-3-10)19-16(20-15(12)21-22)23-6-8-24-9-7-23/h2-5H,6-9,18H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 344.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).