6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one

C18H15N3O4S — CID 3614879

IUPAC6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one
SMILESCc1ncc2c(c1O)C(c1c(O)n(-c3ccccc3)c(=S)[nH]c1=O)OC2
InChIInChI=1S/C18H15N3O4S/c1-9-14(22)12-10(7-19-9)8-25-15(12)13-16(23)20-18(26)21(17(13)24)11-5-3-2-4-6-11/h2-7,15,22,24H,8H2,1H3,(H,20,23,26)
InChIKeyMGVNYDWXJFJXRZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.63
Rot. Bonds2

About 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one

6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 3614879) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one
PubChem CID3614879
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one
SMILESCc1ncc2c(c1O)C(c1c(O)n(-c3ccccc3)c(=S)[nH]c1=O)OC2
InChIInChI=1S/C18H15N3O4S/c1-9-14(22)12-10(7-19-9)8-25-15(12)13-16(23)20-18(26)21(17(13)24)11-5-3-2-4-6-11/h2-7,15,22,24H,8H2,1H3,(H,20,23,26)
InChIKeyMGVNYDWXJFJXRZ-UHFFFAOYSA-N
XLogP2.63
TPSA100.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one (CID 3614879) is 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one is Cc1ncc2c(c1O)C(c1c(O)n(-c3ccccc3)c(=S)[nH]c1=O)OC2.
What is the InChIKey of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is MGVNYDWXJFJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-9-14(22)12-10(7-19-9)8-25-15(12)13-16(23)20-18(26)21(17(13)24)11-5-3-2-4-6-11/h2-7,15,22,24H,8H2,1H3,(H,20,23,26).
What are the key properties of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one?
6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 369.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 3614879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).