4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine

C17H19N5OS — CID 70606737

IUPAC4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19N5OS/c1-13(21-7-9-23-10-8-21)24-17-15-11-20-22(16(15)18-12-19-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyNWAKXRWFWKLKNY-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.59
Rot. Bonds4

About 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine

4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine (PubChem CID 70606737) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
PubChem CID70606737
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19N5OS/c1-13(21-7-9-23-10-8-21)24-17-15-11-20-22(16(15)18-12-19-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyNWAKXRWFWKLKNY-UHFFFAOYSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
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-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine (CID 70606737) is 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine is CC(Sc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
The InChIKey is NWAKXRWFWKLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-13(21-7-9-23-10-8-21)24-17-15-11-20-22(16(15)18-12-19-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine has a molecular weight of 341.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 70606737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).