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

C19H13ClN2O2S — CID 53331622

IUPAC1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O2S/c20-14-6-8-15(9-7-14)22-18(23)17-16(10-11-25-17)21(19(22)24)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyWPLYUGYUGGENJV-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.92
Rot. Bonds3

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

1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331622) has the molecular formula C19H13ClN2O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331622
Molecular FormulaC19H13ClN2O2S
Molecular Weight368.85 g/mol
Exact Mass368.04
IUPAC Name1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O2S/c20-14-6-8-15(9-7-14)22-18(23)17-16(10-11-25-17)21(19(22)24)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyWPLYUGYUGGENJV-UHFFFAOYSA-N
XLogP3.92
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 53331622) is 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione is O=c1c2sccc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is WPLYUGYUGGENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2S/c20-14-6-8-15(9-7-14)22-18(23)17-16(10-11-25-17)21(19(22)24)12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 368.85 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).