2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one

C13H10N2OS2 — CID 12508969

IUPAC2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(SC)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C13H10N2OS2/c1-17-12-9-10(14-13(15-12)18-2)7-5-3-4-6-8(7)11(9)16/h3-6H,1-2H3
InChIKeyNPOYIJOEXSQZID-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds2

About 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one

2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 12508969) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID12508969
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(SC)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C13H10N2OS2/c1-17-12-9-10(14-13(15-12)18-2)7-5-3-4-6-8(7)11(9)16/h3-6H,1-2H3
InChIKeyNPOYIJOEXSQZID-UHFFFAOYSA-N
XLogP3.13
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one (CID 12508969) is 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one is CSc1nc(SC)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is NPOYIJOEXSQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-17-12-9-10(14-13(15-12)18-2)7-5-3-4-6-8(7)11(9)16/h3-6H,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one?
2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 274.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 12508969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).