3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C20H16N2OS — CID 78320482

IUPAC3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C)c(-n2cnc3c(-c4ccccc4)csc3c2=O)c1
InChIInChI=1S/C20H16N2OS/c1-13-8-9-14(2)17(10-13)22-12-21-18-16(11-24-19(18)20(22)23)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyFHPWYCIDPZWDKN-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.73
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78320482) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78320482
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C)c(-n2cnc3c(-c4ccccc4)csc3c2=O)c1
InChIInChI=1S/C20H16N2OS/c1-13-8-9-14(2)17(10-13)22-12-21-18-16(11-24-19(18)20(22)23)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyFHPWYCIDPZWDKN-UHFFFAOYSA-N
XLogP4.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78320482) is 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is Cc1ccc(C)c(-n2cnc3c(-c4ccccc4)csc3c2=O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is FHPWYCIDPZWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-8-9-14(2)17(10-13)22-12-21-18-16(11-24-19(18)20(22)23)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78320482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).