5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one

C12H19N3O2S — CID 136982231

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CSCCN2C)[nH]c(=O)c1CCO
InChIInChI=1S/C12H19N3O2S/c1-8-9(3-5-16)12(17)14-11(13-8)10-7-18-6-4-15(10)2/h10,16H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyWVADNGLQEVLBJB-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.33
Rot. Bonds3

About 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136982231) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
PubChem CID136982231
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CSCCN2C)[nH]c(=O)c1CCO
InChIInChI=1S/C12H19N3O2S/c1-8-9(3-5-16)12(17)14-11(13-8)10-7-18-6-4-15(10)2/h10,16H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyWVADNGLQEVLBJB-UHFFFAOYSA-N
XLogP0.33
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
CID 103595080
5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 136741023
5-bromo-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
CID 103595085
5-bromo-2-(4-methylthiomorpholin-3-yl)-4-propyl-1H-pyrimidin-6-one
CID 136736243
1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone
CID 130502100
2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135736976
6-cyclopentyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106481822
N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 106445969
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 106445974
ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
CID 106445642
[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol
CID 106445941
5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one (CID 136982231) is 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one is Cc1nc(C2CSCCN2C)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is WVADNGLQEVLBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-9(3-5-16)12(17)14-11(13-8)10-7-18-6-4-15(10)2/h10,16H,3-7H2,1-2H3,(H,13,14,17).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 269.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136982231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).