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

C12H8N2O2S — CID 10037459

IUPAC6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2sc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C12H8N2O2S/c15-11-10-8(13-12(16)14-11)6-9(17-10)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16)
InChIKeyHMRVGTSOJXKKAM-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.94
Rot. Bonds1

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

6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 10037459) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID10037459
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2sc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C12H8N2O2S/c15-11-10-8(13-12(16)14-11)6-9(17-10)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16)
InChIKeyHMRVGTSOJXKKAM-UHFFFAOYSA-N
XLogP1.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 10037459) is 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2sc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HMRVGTSOJXKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-11-10-8(13-12(16)14-11)6-9(17-10)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16).
What are the key properties of 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 244.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10037459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).