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

C11H16N2OS2 — CID 4123759

IUPAC3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2c(c(=O)n1C)SC(C)C2
InChIInChI=1S/C11H16N2OS2/c1-6(2)15-11-12-8-5-7(3)16-9(8)10(14)13(11)4/h6-7H,5H2,1-4H3
InChIKeyJPSKGOHATGRHNR-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.32
Rot. Bonds2

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

3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 4123759) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID4123759
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2c(c(=O)n1C)SC(C)C2
InChIInChI=1S/C11H16N2OS2/c1-6(2)15-11-12-8-5-7(3)16-9(8)10(14)13(11)4/h6-7H,5H2,1-4H3
InChIKeyJPSKGOHATGRHNR-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.32
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-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 4123759) is 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CC(C)Sc1nc2c(c(=O)n1C)SC(C)C2.
What is the InChIKey of 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is JPSKGOHATGRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-6(2)15-11-12-8-5-7(3)16-9(8)10(14)13(11)4/h6-7H,5H2,1-4H3.
What are the key properties of 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 256.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 4123759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).