3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one

C15H12N2O2S — CID 62023205

IUPAC3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cc1ccccc1)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C15H12N2O2S/c18-12(8-11-4-2-1-3-5-11)9-17-10-16-13-6-7-20-14(13)15(17)19/h1-7,10H,8-9H2
InChIKeyCFFRGBUUQDPCOA-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one

3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 62023205) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID62023205
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cc1ccccc1)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C15H12N2O2S/c18-12(8-11-4-2-1-3-5-11)9-17-10-16-13-6-7-20-14(13)15(17)19/h1-7,10H,8-9H2
InChIKeyCFFRGBUUQDPCOA-UHFFFAOYSA-N
XLogP2.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 62023205) is 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one is O=C(Cc1ccccc1)Cn1cnc2ccsc2c1=O.
What is the InChIKey of 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CFFRGBUUQDPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-12(8-11-4-2-1-3-5-11)9-17-10-16-13-6-7-20-14(13)15(17)19/h1-7,10H,8-9H2.
What are the key properties of 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one?
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62023205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).