2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C11H13N3O2S — CID 163827051

IUPAC2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2sccc12
InChIInChI=1S/C11H13N3O2S/c15-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-16-5-3-14/h1,6H,2-5,7H2,(H,12,13,15)
InChIKeyOAJJYSIBVUMHMQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.82
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 163827051) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID163827051
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2sccc12
InChIInChI=1S/C11H13N3O2S/c15-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-16-5-3-14/h1,6H,2-5,7H2,(H,12,13,15)
InChIKeyOAJJYSIBVUMHMQ-UHFFFAOYSA-N
XLogP0.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 163827051) is 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(CN2CCOCC2)nc2sccc12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is OAJJYSIBVUMHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-16-5-3-14/h1,6H,2-5,7H2,(H,12,13,15).
What are the key properties of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163827051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).