6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one

C13H10N2O4S — CID 129279523

IUPAC6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cc(OC)c2cc3c(=O)[nH]c(=S)nc-3oc2c1
InChIInChI=1S/C13H10N2O4S/c1-17-6-3-9(18-2)7-5-8-11(16)14-13(20)15-12(8)19-10(7)4-6/h3-5H,1-2H3,(H,14,16,20)
InChIKeyFZYGAYXYTXHBRG-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.37
Rot. Bonds2

About 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one

6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one (PubChem CID 129279523) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
PubChem CID129279523
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cc(OC)c2cc3c(=O)[nH]c(=S)nc-3oc2c1
InChIInChI=1S/C13H10N2O4S/c1-17-6-3-9(18-2)7-5-8-11(16)14-13(20)15-12(8)19-10(7)4-6/h3-5H,1-2H3,(H,14,16,20)
InChIKeyFZYGAYXYTXHBRG-UHFFFAOYSA-N
XLogP2.37
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
CID 129279520
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one
CID 163504792
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
3-(4-hydroxyphenyl)-5,7-dimethoxy-1H-quinolin-2-one
CID 10990147
3-(5,7-dimethoxy-2-oxochromen-3-yl)-7-fluoro-1-methylquinolin-2-one
CID 177425154
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
CID 2305660
2-(4-fluorophenyl)-5,7-dimethoxychromene-4-thione
CID 154714196
3-(5,7-dimethoxy-2-oxochromene-3-carbonyl)-5-methoxy-2-oxochromene-7-carbaldehyde
CID 134251996
5,7-dimethoxy-2-phenylchromene-4-thione
CID 56984400

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one (CID 129279523) is 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one is COc1cc(OC)c2cc3c(=O)[nH]c(=S)nc-3oc2c1.
What is the InChIKey of 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one?
The InChIKey is FZYGAYXYTXHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c1-17-6-3-9(18-2)7-5-8-11(16)14-13(20)15-12(8)19-10(7)4-6/h3-5H,1-2H3,(H,14,16,20).
What are the key properties of 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one?
6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one has a molecular weight of 290.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 129279523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).