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

C20H13FN2O3S — CID 12004822

IUPAC3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)c1ccccc1
InChIInChI=1S/C20H13FN2O3S/c21-14-6-8-15(9-7-14)23-19(25)18-16(10-11-27-18)22(20(23)26)12-17(24)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyMHUPFSUCYSWUBI-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.24
Rot. Bonds4

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

3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 12004822) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID12004822
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC Name3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)c1ccccc1
InChIInChI=1S/C20H13FN2O3S/c21-14-6-8-15(9-7-14)23-19(25)18-16(10-11-27-18)22(20(23)26)12-17(24)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyMHUPFSUCYSWUBI-UHFFFAOYSA-N
XLogP3.24
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione (CID 12004822) is 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is MHUPFSUCYSWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c21-14-6-8-15(9-7-14)23-19(25)18-16(10-11-27-18)22(20(23)26)12-17(24)13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione?
3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-phenacylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12004822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).