3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

C12H17N3O4S — CID 135501397

IUPAC3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C12H17N3O4S/c1-2-15-10(17)7-9(16)13-12(15)20-8-11(18)14-3-5-19-6-4-14/h7,16H,2-6,8H2,1H3
InChIKeyPZJKXELVMDRSRI-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.08
Rot. Bonds4

About 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 135501397) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID135501397
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C12H17N3O4S/c1-2-15-10(17)7-9(16)13-12(15)20-8-11(18)14-3-5-19-6-4-14/h7,16H,2-6,8H2,1H3
InChIKeyPZJKXELVMDRSRI-UHFFFAOYSA-N
XLogP-0.08
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-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 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 135501397) is 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O.
What is the InChIKey of 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is PZJKXELVMDRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-2-15-10(17)7-9(16)13-12(15)20-8-11(18)14-3-5-19-6-4-14/h7,16H,2-6,8H2,1H3.
What are the key properties of 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one has a molecular weight of 299.35 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135501397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).