2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C17H17N3O2S — CID 2096690

IUPAC2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H17N3O2S/c21-16-15-13(12-4-2-1-3-5-12)11-23-17(15)19-14(18-16)10-20-6-8-22-9-7-20/h1-5,11H,6-10H2,(H,18,19,21)
InChIKeyZAEDTEOPJIDXIX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.48
Rot. Bonds3

About 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2096690) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2096690
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H17N3O2S/c21-16-15-13(12-4-2-1-3-5-12)11-23-17(15)19-14(18-16)10-20-6-8-22-9-7-20/h1-5,11H,6-10H2,(H,18,19,21)
InChIKeyZAEDTEOPJIDXIX-UHFFFAOYSA-N
XLogP2.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.48
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)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2096690) is 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZAEDTEOPJIDXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-16-15-13(12-4-2-1-3-5-12)11-23-17(15)19-14(18-16)10-20-6-8-22-9-7-20/h1-5,11H,6-10H2,(H,18,19,21).
What are the key properties of 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 327.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2096690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).