2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine

C11H14N4S2 — CID 106445661

IUPAC2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCSCC1c1nc(N)c2ccsc2n1
InChIInChI=1S/C11H14N4S2/c1-15-3-5-16-6-8(15)10-13-9(12)7-2-4-17-11(7)14-10/h2,4,8H,3,5-6H2,1H3,(H2,12,13,14)
InChIKeyBUAUPEHAEPNDCS-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.99
Rot. Bonds1

About 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine

2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106445661) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID106445661
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCSCC1c1nc(N)c2ccsc2n1
InChIInChI=1S/C11H14N4S2/c1-15-3-5-16-6-8(15)10-13-9(12)7-2-4-17-11(7)14-10/h2,4,8H,3,5-6H2,1H3,(H2,12,13,14)
InChIKeyBUAUPEHAEPNDCS-UHFFFAOYSA-N
XLogP1.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 106445661) is 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine is CN1CCSCC1c1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BUAUPEHAEPNDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-15-3-5-16-6-8(15)10-13-9(12)7-2-4-17-11(7)14-10/h2,4,8H,3,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106445661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).