2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine

C14H16N6OS — CID 141107975

IUPAC2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine
SMILESCC1CN(c2nc(N)c3ncn(-c4ccsc4)c3n2)CCO1
InChIInChI=1S/C14H16N6OS/c1-9-6-19(3-4-21-9)14-17-12(15)11-13(18-14)20(8-16-11)10-2-5-22-7-10/h2,5,7-9H,3-4,6H2,1H3,(H2,15,17,18)
InChIKeyXYIWHENSMDIBBK-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.68
Rot. Bonds2

About 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine

2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine (PubChem CID 141107975) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine
PubChem CID141107975
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine
SMILESCC1CN(c2nc(N)c3ncn(-c4ccsc4)c3n2)CCO1
InChIInChI=1S/C14H16N6OS/c1-9-6-19(3-4-21-9)14-17-12(15)11-13(18-14)20(8-16-11)10-2-5-22-7-10/h2,5,7-9H,3-4,6H2,1H3,(H2,15,17,18)
InChIKeyXYIWHENSMDIBBK-UHFFFAOYSA-N
XLogP1.68
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine (CID 141107975) is 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine is CC1CN(c2nc(N)c3ncn(-c4ccsc4)c3n2)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine?
The InChIKey is XYIWHENSMDIBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-9-6-19(3-4-21-9)14-17-12(15)11-13(18-14)20(8-16-11)10-2-5-22-7-10/h2,5,7-9H,3-4,6H2,1H3,(H2,15,17,18).
What are the key properties of 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine?
2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine has a molecular weight of 316.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 141107975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).