1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one

C8H11N3O2S — CID 83025175

IUPAC1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one
SMILESO=c1ccn(N2CCOCC2)c(=S)[nH]1
InChIInChI=1S/C8H11N3O2S/c12-7-1-2-11(8(14)9-7)10-3-5-13-6-4-10/h1-2H,3-6H2,(H,9,12,14)
InChIKeyFLCWBYFVHLQHQF-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.13
Rot. Bonds1

About 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one

1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one (PubChem CID 83025175) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one
PubChem CID83025175
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one
SMILESO=c1ccn(N2CCOCC2)c(=S)[nH]1
InChIInChI=1S/C8H11N3O2S/c12-7-1-2-11(8(14)9-7)10-3-5-13-6-4-10/h1-2H,3-6H2,(H,9,12,14)
InChIKeyFLCWBYFVHLQHQF-UHFFFAOYSA-N
XLogP-0.13
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-yl-1H-imidazol-2-one
CID 103125886
6-hydroxy-1-morpholin-4-ylpyrimidine-2,4-dione
CID 112598166
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
3-morpholin-4-ylpyrimidin-4-one
CID 154078202
1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one
CID 64688640
2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 62402551
1-(1-methyl-2-oxopyrrolidin-3-yl)-2-sulfanylidenepyrimidin-4-one
CID 106259294
5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione
CID 3369393
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
5-chloro-3-morpholin-4-yl-1H-benzimidazole-2-thione
CID 83018582
1-(2,3-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404849
6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 38997261

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one (CID 83025175) is 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one is O=c1ccn(N2CCOCC2)c(=S)[nH]1.
What is the InChIKey of 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is FLCWBYFVHLQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-7-1-2-11(8(14)9-7)10-3-5-13-6-4-10/h1-2H,3-6H2,(H,9,12,14).
What are the key properties of 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one?
1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 213.26 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 83025175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).