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

C19H12ClFN2O2S — CID 53331619

IUPAC1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C19H12ClFN2O2S/c20-13-6-4-12(5-7-13)11-22-16-8-9-26-17(16)18(24)23(19(22)25)15-3-1-2-14(21)10-15/h1-10H,11H2
InChIKeyDANMUVHTNKAJDT-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.05
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331619) has the molecular formula C19H12ClFN2O2S and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331619
Molecular FormulaC19H12ClFN2O2S
Molecular Weight386.84 g/mol
Exact Mass386.03
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C19H12ClFN2O2S/c20-13-6-4-12(5-7-13)11-22-16-8-9-26-17(16)18(24)23(19(22)25)15-3-1-2-14(21)10-15/h1-10H,11H2
InChIKeyDANMUVHTNKAJDT-UHFFFAOYSA-N
XLogP4.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 53331619) is 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione is O=c1c2sccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is DANMUVHTNKAJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2S/c20-13-6-4-12(5-7-13)11-22-16-8-9-26-17(16)18(24)23(19(22)25)15-3-1-2-14(21)10-15/h1-10H,11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 386.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).