5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C19H19N3O4S2 — CID 1281397

IUPAC5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C19H19N3O4S2/c1-2-5-22-18(24)16-13(14-4-3-8-26-14)11-27-17(16)20-19(22)28-12-15(23)21-6-9-25-10-7-21/h2-4,8,11H,1,5-7,9-10,12H2
InChIKeyCXHVPBGOYNWKBJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.85
Rot. Bonds6

About 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1281397) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
PubChem CID1281397
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C19H19N3O4S2/c1-2-5-22-18(24)16-13(14-4-3-8-26-14)11-27-17(16)20-19(22)28-12-15(23)21-6-9-25-10-7-21/h2-4,8,11H,1,5-7,9-10,12H2
InChIKeyCXHVPBGOYNWKBJ-UHFFFAOYSA-N
XLogP2.85
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 1281397) is 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O.
What is the InChIKey of 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CXHVPBGOYNWKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-2-5-22-18(24)16-13(14-4-3-8-26-14)11-27-17(16)20-19(22)28-12-15(23)21-6-9-25-10-7-21/h2-4,8,11H,1,5-7,9-10,12H2.
What are the key properties of 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 417.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1281397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).