3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C19H14N2O2S — CID 78320170

IUPAC3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4)csc3c2=O)cc1
InChIInChI=1S/C19H14N2O2S/c1-23-15-9-7-14(8-10-15)21-12-20-17-16(11-24-18(17)19(21)22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyFROKPIIZKWCIFC-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.12
Rot. Bonds3

About 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78320170) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78320170
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4)csc3c2=O)cc1
InChIInChI=1S/C19H14N2O2S/c1-23-15-9-7-14(8-10-15)21-12-20-17-16(11-24-18(17)19(21)22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyFROKPIIZKWCIFC-UHFFFAOYSA-N
XLogP4.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78320170) is 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2cnc3c(-c4ccccc4)csc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is FROKPIIZKWCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-23-15-9-7-14(8-10-15)21-12-20-17-16(11-24-18(17)19(21)22)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 334.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78320170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).