3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one

C13H17N3O3S — CID 51076416

IUPAC3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC(O)CN1CCOCC1
InChIInChI=1S/C13H17N3O3S/c17-10(7-15-2-4-19-5-3-15)8-16-9-14-11-1-6-20-12(11)13(16)18/h1,6,9-10,17H,2-5,7-8H2
InChIKeyMARQMFKWEJNLRO-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.15
Rot. Bonds4

About 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one

3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 51076416) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID51076416
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC(O)CN1CCOCC1
InChIInChI=1S/C13H17N3O3S/c17-10(7-15-2-4-19-5-3-15)8-16-9-14-11-1-6-20-12(11)13(16)18/h1,6,9-10,17H,2-5,7-8H2
InChIKeyMARQMFKWEJNLRO-UHFFFAOYSA-N
XLogP0.15
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 51076416) is 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CC(O)CN1CCOCC1.
What is the InChIKey of 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MARQMFKWEJNLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-10(7-15-2-4-19-5-3-15)8-16-9-14-11-1-6-20-12(11)13(16)18/h1,6,9-10,17H,2-5,7-8H2.
What are the key properties of 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 295.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 51076416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).