1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol

C19H23N5O2S — CID 3740059

IUPAC1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1cnc2c(SCc3ccccc3)ncnc21
InChIInChI=1S/C19H23N5O2S/c25-16(10-23-6-8-26-9-7-23)11-24-14-22-17-18(24)20-13-21-19(17)27-12-15-4-2-1-3-5-15/h1-5,13-14,16,25H,6-12H2
InChIKeyMQOPLUWYDBWTMI-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.81
Rot. Bonds7

About 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol

1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 3740059) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID3740059
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1cnc2c(SCc3ccccc3)ncnc21
InChIInChI=1S/C19H23N5O2S/c25-16(10-23-6-8-26-9-7-23)11-24-14-22-17-18(24)20-13-21-19(17)27-12-15-4-2-1-3-5-15/h1-5,13-14,16,25H,6-12H2
InChIKeyMQOPLUWYDBWTMI-UHFFFAOYSA-N
XLogP1.81
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol (CID 3740059) is 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)Cn1cnc2c(SCc3ccccc3)ncnc21.
What is the InChIKey of 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is MQOPLUWYDBWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c25-16(10-23-6-8-26-9-7-23)11-24-14-22-17-18(24)20-13-21-19(17)27-12-15-4-2-1-3-5-15/h1-5,13-14,16,25H,6-12H2.
What are the key properties of 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol?
1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 385.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 3740059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).