5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C20H14F2N2OS — CID 52553850

IUPAC5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Cc3cccc(F)c3)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2OS/c1-11-17(13-5-7-14(21)8-6-13)18-19(25)23-16(24-20(18)26-11)10-12-3-2-4-15(22)9-12/h2-9H,10H2,1H3,(H,23,24,25)
InChIKeyWGQJQTUGWUMDPJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.83
Rot. Bonds3

About 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 52553850) has the molecular formula C20H14F2N2OS and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID52553850
Molecular FormulaC20H14F2N2OS
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Cc3cccc(F)c3)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2OS/c1-11-17(13-5-7-14(21)8-6-13)18-19(25)23-16(24-20(18)26-11)10-12-3-2-4-15(22)9-12/h2-9H,10H2,1H3,(H,23,24,25)
InChIKeyWGQJQTUGWUMDPJ-UHFFFAOYSA-N
XLogP4.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 209396
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CID 673139
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CID 2393069
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CID 3301641
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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 52553850) is 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(Cc3cccc(F)c3)[nH]c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WGQJQTUGWUMDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2OS/c1-11-17(13-5-7-14(21)8-6-13)18-19(25)23-16(24-20(18)26-11)10-12-3-2-4-15(22)9-12/h2-9H,10H2,1H3,(H,23,24,25).
What are the key properties of 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 368.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 52553850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).