6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine

C12H18N6OS — CID 106326325

IUPAC6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
SMILESCOc1ncnc2c1nc(N)n2CCN1CCSCC1
InChIInChI=1S/C12H18N6OS/c1-19-11-9-10(14-8-15-11)18(12(13)16-9)3-2-17-4-6-20-7-5-17/h8H,2-7H2,1H3,(H2,13,16)
InChIKeySJGNEGQNRVXLAO-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.47
Rot. Bonds4

About 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine

6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine (PubChem CID 106326325) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine.

Molecular Properties

Compound Name6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
PubChem CID106326325
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
SMILESCOc1ncnc2c1nc(N)n2CCN1CCSCC1
InChIInChI=1S/C12H18N6OS/c1-19-11-9-10(14-8-15-11)18(12(13)16-9)3-2-17-4-6-20-7-5-17/h8H,2-7H2,1H3,(H2,13,16)
InChIKeySJGNEGQNRVXLAO-UHFFFAOYSA-N
XLogP0.47
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-9-octylpurin-8-amine
CID 115569133
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150
4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326378
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
CID 80721385
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
CID 107601316
9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
CID 107368239
8-(chloromethyl)-6-methoxy-9-(thiolan-3-yl)purine
CID 103063822
8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
CID 91285974
6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine
CID 46903593
4-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326615
9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
CID 106760245

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine?
The IUPAC name of 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine (CID 106326325) is 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine.
What is the SMILES notation for 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine?
The canonical SMILES for 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine is COc1ncnc2c1nc(N)n2CCN1CCSCC1.
What is the InChIKey of 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine?
The InChIKey is SJGNEGQNRVXLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-19-11-9-10(14-8-15-11)18(12(13)16-9)3-2-17-4-6-20-7-5-17/h8H,2-7H2,1H3,(H2,13,16).
What are the key properties of 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine?
6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine has a molecular weight of 294.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine is sourced from PubChem (CID 106326325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).