methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate

C8H11N3O3S — CID 136719203

IUPACmethyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
SMILES[H]/N=C(\SC)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H11N3O3S/c1-10-6(12)4(5(9)15-3)7(13)11(2)8(10)14/h9,12H,1-3H3/b9-5-
InChIKeyWECREKSFIIFTQH-UITAMQMPSA-N
MW229.26 g/mol
LogP-0.52
Rot. Bonds1

About methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate

methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate (PubChem CID 136719203) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
PubChem CID136719203
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Namemethyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
SMILES[H]/N=C(\SC)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H11N3O3S/c1-10-6(12)4(5(9)15-3)7(13)11(2)8(10)14/h9,12H,1-3H3/b9-5-
InChIKeyWECREKSFIIFTQH-UITAMQMPSA-N
XLogP-0.52
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate 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

6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
CID 123552336
6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
CID 135777862
4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
CID 136717307
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
CID 136623139
N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 135548606
6-hydroxy-1,3-dimethyl-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 4269333
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464
ethyl N-(4-fluorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 3899014
4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 54316310
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
benzyl N-(4-chlorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 5000028

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate?
The IUPAC name of methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate (CID 136719203) is methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate.
What is the SMILES notation for methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate?
The canonical SMILES for methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate is [H]/N=C(\SC)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate?
The InChIKey is WECREKSFIIFTQH-UITAMQMPSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-10-6(12)4(5(9)15-3)7(13)11(2)8(10)14/h9,12H,1-3H3/b9-5-.
What are the key properties of methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate?
methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate has a molecular weight of 229.26 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate is sourced from PubChem (CID 136719203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).