6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one

C12H13N3O2S — CID 19576799

IUPAC6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
SMILESCCOc1ccccc1-n1c(N)cc(=O)[nH]c1=S
InChIInChI=1S/C12H13N3O2S/c1-2-17-9-6-4-3-5-8(9)15-10(13)7-11(16)14-12(15)18/h3-7H,2,13H2,1H3,(H,14,16,18)
InChIKeyAWPNVNXDGQLGFJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.88
Rot. Bonds3

About 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one

6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one (PubChem CID 19576799) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
PubChem CID19576799
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
SMILESCCOc1ccccc1-n1c(N)cc(=O)[nH]c1=S
InChIInChI=1S/C12H13N3O2S/c1-2-17-9-6-4-3-5-8(9)15-10(13)7-11(16)14-12(15)18/h3-7H,2,13H2,1H3,(H,14,16,18)
InChIKeyAWPNVNXDGQLGFJ-UHFFFAOYSA-N
XLogP1.88
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-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

Related Compounds

3-(2-ethoxyphenyl)-4-methyl-1H-imidazole-2-thione
CID 81337774
4-(2-ethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione
CID 17372455
7-chloro-3-(2-ethoxyphenyl)-1H-benzimidazole-2-thione
CID 104836210
3-(2-ethoxyphenyl)-4-ethyl-1H-imidazole-2-thione
CID 81337921
3-(2-ethoxyphenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714217
3-(2-ethoxyphenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66101910
3-(2-ethoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321671
5-amino-1-(2-ethoxyphenyl)-2-methylpyridin-4-one
CID 82467325
6-amino-1-[2-(2,6-dimethoxyphenyl)ethyl]-2-sulfanylidenepyrimidin-4-one
CID 46206727
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82467326
4-(2,5-diethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 55129787
3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50970762

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one (CID 19576799) is 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one is CCOc1ccccc1-n1c(N)cc(=O)[nH]c1=S.
What is the InChIKey of 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one?
The InChIKey is AWPNVNXDGQLGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-9-6-4-3-5-8(9)15-10(13)7-11(16)14-12(15)18/h3-7H,2,13H2,1H3,(H,14,16,18).
What are the key properties of 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one?
6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one has a molecular weight of 263.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-ethoxyphenyl)-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 19576799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).