7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

C12H8N2OS — CID 135413416

IUPAC7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3ccccc3)csc12
InChIInChI=1S/C12H8N2OS/c15-12-11-10(13-7-14-12)9(6-16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChIKeyKLHTXUMTNSNMNQ-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.65
Rot. Bonds1

About 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135413416) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135413416
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3ccccc3)csc12
InChIInChI=1S/C12H8N2OS/c15-12-11-10(13-7-14-12)9(6-16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChIKeyKLHTXUMTNSNMNQ-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135413416) is 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(-c3ccccc3)csc12.
What is the InChIKey of 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KLHTXUMTNSNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-11-10(13-7-14-12)9(6-16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15).
What are the key properties of 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 228.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135413416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).