4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine

C11H15N5OS — CID 672477

IUPAC4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine
SMILESCSc1ncnc2c1ncn2CN1CCOCC1
InChIInChI=1S/C11H15N5OS/c1-18-11-9-10(12-6-13-11)16(7-14-9)8-15-2-4-17-5-3-15/h6-7H,2-5,8H2,1H3
InChIKeyNDNARWOJNRJNAB-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.84
Rot. Bonds3

About 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine

4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine (PubChem CID 672477) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine
PubChem CID672477
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine
SMILESCSc1ncnc2c1ncn2CN1CCOCC1
InChIInChI=1S/C11H15N5OS/c1-18-11-9-10(12-6-13-11)16(7-14-9)8-15-2-4-17-5-3-15/h6-7H,2-5,8H2,1H3
InChIKeyNDNARWOJNRJNAB-UHFFFAOYSA-N
XLogP0.84
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine?
The IUPAC name of 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine (CID 672477) is 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine is CSc1ncnc2c1ncn2CN1CCOCC1.
What is the InChIKey of 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine?
The InChIKey is NDNARWOJNRJNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-18-11-9-10(12-6-13-11)16(7-14-9)8-15-2-4-17-5-3-15/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine?
4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine has a molecular weight of 265.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylsulfanylpurin-9-yl)methyl]morpholine is sourced from PubChem (CID 672477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).