6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione

C12H10N2O2S — CID 85138935

IUPAC6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2C=C(c3ccccc3)SC2N1
InChIInChI=1S/C12H10N2O2S/c15-10-8-6-9(7-4-2-1-3-5-7)17-11(8)14-12(16)13-10/h1-6,8,11H,(H2,13,14,15,16)
InChIKeyFIABOJPIXJWDPI-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.56
Rot. Bonds1

About 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione

6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 85138935) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID85138935
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2C=C(c3ccccc3)SC2N1
InChIInChI=1S/C12H10N2O2S/c15-10-8-6-9(7-4-2-1-3-5-7)17-11(8)14-12(16)13-10/h1-6,8,11H,(H2,13,14,15,16)
InChIKeyFIABOJPIXJWDPI-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 85138935) is 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=C1NC(=O)C2C=C(c3ccccc3)SC2N1.
What is the InChIKey of 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FIABOJPIXJWDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-10-8-6-9(7-4-2-1-3-5-7)17-11(8)14-12(16)13-10/h1-6,8,11H,(H2,13,14,15,16).
What are the key properties of 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione?
6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 246.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 85138935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).