4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one

C11H12N4O2S — CID 79467885

IUPAC4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
SMILESNc1nc(CN2CCOCC2=O)nc2sccc12
InChIInChI=1S/C11H12N4O2S/c12-10-7-1-4-18-11(7)14-8(13-10)5-15-2-3-17-6-9(15)16/h1,4H,2-3,5-6H2,(H2,12,13,14)
InChIKeyJSDDGQLCLVJUNV-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.63
Rot. Bonds2

About 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one

4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one (PubChem CID 79467885) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
PubChem CID79467885
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
SMILESNc1nc(CN2CCOCC2=O)nc2sccc12
InChIInChI=1S/C11H12N4O2S/c12-10-7-1-4-18-11(7)14-8(13-10)5-15-2-3-17-6-9(15)16/h1,4H,2-3,5-6H2,(H2,12,13,14)
InChIKeyJSDDGQLCLVJUNV-UHFFFAOYSA-N
XLogP0.63
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one?
The IUPAC name of 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one (CID 79467885) is 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one is Nc1nc(CN2CCOCC2=O)nc2sccc12.
What is the InChIKey of 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one?
The InChIKey is JSDDGQLCLVJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-10-7-1-4-18-11(7)14-8(13-10)5-15-2-3-17-6-9(15)16/h1,4H,2-3,5-6H2,(H2,12,13,14).
What are the key properties of 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one?
4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one has a molecular weight of 264.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one is sourced from PubChem (CID 79467885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).