1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione

C20H16N2O2S — CID 53331547

IUPAC1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C20H16N2O2S/c1-14-6-5-9-16(12-14)22-19(23)18-17(10-11-25-18)21(20(22)24)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyRHQXJALNXTVIGE-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.57
Rot. Bonds3

About 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione

1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331547) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331547
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C20H16N2O2S/c1-14-6-5-9-16(12-14)22-19(23)18-17(10-11-25-18)21(20(22)24)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyRHQXJALNXTVIGE-UHFFFAOYSA-N
XLogP3.57
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 53331547) is 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione is Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RHQXJALNXTVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14-6-5-9-16(12-14)22-19(23)18-17(10-11-25-18)21(20(22)24)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 348.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).