3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C9H12N2OS2 — CID 3403538

IUPAC3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1C)SC(C)C2
InChIInChI=1S/C9H12N2OS2/c1-5-4-6-7(14-5)8(12)11(2)9(10-6)13-3/h5H,4H2,1-3H3
InChIKeyPOAHIWDJHBVLNV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.54
Rot. Bonds1

About 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 3403538) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID3403538
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1C)SC(C)C2
InChIInChI=1S/C9H12N2OS2/c1-5-4-6-7(14-5)8(12)11(2)9(10-6)13-3/h5H,4H2,1-3H3
InChIKeyPOAHIWDJHBVLNV-UHFFFAOYSA-N
XLogP1.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 3403538) is 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CSc1nc2c(c(=O)n1C)SC(C)C2.
What is the InChIKey of 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is POAHIWDJHBVLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-5-4-6-7(14-5)8(12)11(2)9(10-6)13-3/h5H,4H2,1-3H3.
What are the key properties of 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 228.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3403538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).