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

C20H16N2OS — CID 30849658

IUPAC3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1
InChIInChI=1S/C20H16N2OS/c1-14-6-5-7-15(10-14)11-22-13-21-18-17(12-24-19(18)20(22)23)16-8-3-2-4-9-16/h2-10,12-13H,11H2,1H3
InChIKeyREBJEJGANQWPPT-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.48
Rot. Bonds3

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

3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 30849658) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID30849658
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1
InChIInChI=1S/C20H16N2OS/c1-14-6-5-7-15(10-14)11-22-13-21-18-17(12-24-19(18)20(22)23)16-8-3-2-4-9-16/h2-10,12-13H,11H2,1H3
InChIKeyREBJEJGANQWPPT-UHFFFAOYSA-N
XLogP4.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 30849658) is 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one is Cc1cccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is REBJEJGANQWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-14-6-5-7-15(10-14)11-22-13-21-18-17(12-24-19(18)20(22)23)16-8-3-2-4-9-16/h2-10,12-13H,11H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 30849658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).