5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C15H10N4O4S2 — CID 2836553

IUPAC5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1C1c2ccccc2Oc2[nH]c(=S)[nH]c(=O)c21
InChIInChI=1S/C15H10N4O4S2/c20-10-8(11(21)17-14(24)16-10)7-5-3-1-2-4-6(5)23-13-9(7)12(22)18-15(25)19-13/h1-4,7H,(H2,18,19,22,25)(H3,16,17,20,21,24)
InChIKeyADQXQWAHYSOCCX-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.17
Rot. Bonds1

About 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one

5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 2836553) has the molecular formula C15H10N4O4S2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID2836553
Molecular FormulaC15H10N4O4S2
Molecular Weight374.40 g/mol
Exact Mass374.01
IUPAC Name5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1C1c2ccccc2Oc2[nH]c(=S)[nH]c(=O)c21
InChIInChI=1S/C15H10N4O4S2/c20-10-8(11(21)17-14(24)16-10)7-5-3-1-2-4-6(5)23-13-9(7)12(22)18-15(25)19-13/h1-4,7H,(H2,18,19,22,25)(H3,16,17,20,21,24)
InChIKeyADQXQWAHYSOCCX-UHFFFAOYSA-N
XLogP2.17
TPSA126.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 2836553) is 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one is O=c1[nH]c(=S)[nH]c(O)c1C1c2ccccc2Oc2[nH]c(=S)[nH]c(=O)c21.
What is the InChIKey of 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is ADQXQWAHYSOCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4S2/c20-10-8(11(21)17-14(24)16-10)7-5-3-1-2-4-6(5)23-13-9(7)12(22)18-15(25)19-13/h1-4,7H,(H2,18,19,22,25)(H3,16,17,20,21,24).
What are the key properties of 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 374.40 g/mol, XLogP of 2.17, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2836553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).