1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione

C14H12N2O2S — CID 6486593

IUPAC1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12N2O2S/c1-15-13(17)12-11(7-8-19-12)16(14(15)18)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyAKTGOQXMHZBOLI-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.81
Rot. Bonds2

About 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione

1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486593) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486593
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12N2O2S/c1-15-13(17)12-11(7-8-19-12)16(14(15)18)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyAKTGOQXMHZBOLI-UHFFFAOYSA-N
XLogP1.81
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione (CID 6486593) is 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AKTGOQXMHZBOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-15-13(17)12-11(7-8-19-12)16(14(15)18)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 272.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).