5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one

C15H21N3O4S — CID 135431124

IUPAC5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCOCC2)nc(O)c(CC)c1=O
InChIInChI=1S/C15H21N3O4S/c1-3-5-18-14(21)11(4-2)13(20)16-15(18)23-10-12(19)17-6-8-22-9-7-17/h3,20H,1,4-10H2,2H3
InChIKeySSFQUOUSHLULPN-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.65
Rot. Bonds6

About 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one

5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one (PubChem CID 135431124) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
PubChem CID135431124
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCOCC2)nc(O)c(CC)c1=O
InChIInChI=1S/C15H21N3O4S/c1-3-5-18-14(21)11(4-2)13(20)16-15(18)23-10-12(19)17-6-8-22-9-7-17/h3,20H,1,4-10H2,2H3
InChIKeySSFQUOUSHLULPN-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one (CID 135431124) is 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(SCC(=O)N2CCOCC2)nc(O)c(CC)c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is SSFQUOUSHLULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-5-18-14(21)11(4-2)13(20)16-15(18)23-10-12(19)17-6-8-22-9-7-17/h3,20H,1,4-10H2,2H3.
What are the key properties of 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 135431124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).