2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

C13H10N2OS — CID 12508970

IUPAC2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(C)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C13H10N2OS/c1-7-14-11-8-5-3-4-6-9(8)12(16)10(11)13(15-7)17-2/h3-6H,1-2H3
InChIKeyHQDGVFGJOIVYJK-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.72
Rot. Bonds1

About 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (PubChem CID 12508970) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
PubChem CID12508970
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(C)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C13H10N2OS/c1-7-14-11-8-5-3-4-6-9(8)12(16)10(11)13(15-7)17-2/h3-6H,1-2H3
InChIKeyHQDGVFGJOIVYJK-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (CID 12508970) is 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is CSc1nc(C)nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is HQDGVFGJOIVYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-7-14-11-8-5-3-4-6-9(8)12(16)10(11)13(15-7)17-2/h3-6H,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 242.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 12508970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).