6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one

C7H8N2OS — CID 50938277

IUPAC6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1=CC2C(=O)NC=NC2S1
InChIInChI=1S/C7H8N2OS/c1-4-2-5-6(10)8-3-9-7(5)11-4/h2-3,5,7H,1H3,(H,8,9,10)
InChIKeyYTFKDBYDGNHOSM-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.74
Rot. Bonds

About 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one

6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 50938277) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID50938277
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1=CC2C(=O)NC=NC2S1
InChIInChI=1S/C7H8N2OS/c1-4-2-5-6(10)8-3-9-7(5)11-4/h2-3,5,7H,1H3,(H,8,9,10)
InChIKeyYTFKDBYDGNHOSM-UHFFFAOYSA-N
XLogP0.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one (CID 50938277) is 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one is CC1=CC2C(=O)NC=NC2S1.
What is the InChIKey of 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YTFKDBYDGNHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-4-2-5-6(10)8-3-9-7(5)11-4/h2-3,5,7H,1H3,(H,8,9,10).
What are the key properties of 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 168.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 50938277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).