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

C19H12F2N2O2S — CID 53331613

IUPAC3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2ccccc2F)c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C19H12F2N2O2S/c20-13-5-3-6-14(10-13)23-18(24)17-16(8-9-26-17)22(19(23)25)11-12-4-1-2-7-15(12)21/h1-10H,11H2
InChIKeyPYDUOQKRDYBQNW-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.54
Rot. Bonds3

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

3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331613) has the molecular formula C19H12F2N2O2S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331613
Molecular FormulaC19H12F2N2O2S
Molecular Weight370.38 g/mol
Exact Mass370.06
IUPAC Name3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2ccccc2F)c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C19H12F2N2O2S/c20-13-5-3-6-14(10-13)23-18(24)17-16(8-9-26-17)22(19(23)25)11-12-4-1-2-7-15(12)21/h1-10H,11H2
InChIKeyPYDUOQKRDYBQNW-UHFFFAOYSA-N
XLogP3.54
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 53331613) is 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is O=c1c2sccc2n(Cc2ccccc2F)c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is PYDUOQKRDYBQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O2S/c20-13-5-3-6-14(10-13)23-18(24)17-16(8-9-26-17)22(19(23)25)11-12-4-1-2-7-15(12)21/h1-10H,11H2.
What are the key properties of 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 370.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).