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

C13H17N3O4S — CID 135403335

IUPAC6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C13H17N3O4S/c1-2-3-16-11(18)8-10(17)14-13(16)21-9-12(19)15-4-6-20-7-5-15/h2,8,17H,1,3-7,9H2
InChIKeyRRJRZNBMCNVTFL-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.09
Rot. Bonds5

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

6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one (PubChem CID 135403335) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
PubChem CID135403335
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C13H17N3O4S/c1-2-3-16-11(18)8-10(17)14-13(16)21-9-12(19)15-4-6-20-7-5-15/h2,8,17H,1,3-7,9H2
InChIKeyRRJRZNBMCNVTFL-UHFFFAOYSA-N
XLogP0.09
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one (CID 135403335) is 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is RRJRZNBMCNVTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-2-3-16-11(18)8-10(17)14-13(16)21-9-12(19)15-4-6-20-7-5-15/h2,8,17H,1,3-7,9H2.
What are the key properties of 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 311.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 135403335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).