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

C19H12F2N2OS — CID 28889421

IUPAC2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3c(F)cccc3F)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C19H12F2N2OS/c1-10-14(11-6-3-2-4-7-11)16-18(24)22-17(23-19(16)25-10)15-12(20)8-5-9-13(15)21/h2-9H,1H3,(H,22,23,24)
InChIKeyRJFPMQRAIADVCP-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.91
Rot. Bonds2

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

2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28889421) has the molecular formula C19H12F2N2OS and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28889421
Molecular FormulaC19H12F2N2OS
Molecular Weight354.38 g/mol
Exact Mass354.06
IUPAC Name2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3c(F)cccc3F)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C19H12F2N2OS/c1-10-14(11-6-3-2-4-7-11)16-18(24)22-17(23-19(16)25-10)15-12(20)8-5-9-13(15)21/h2-9H,1H3,(H,22,23,24)
InChIKeyRJFPMQRAIADVCP-UHFFFAOYSA-N
XLogP4.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889437
2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868501
2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889403
5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167920942
2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 44639673
5-(4-bromophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889070
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 18291154
5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868538
6-methyl-5-phenyl-2-prop-2-enylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7575451
2-butylsulfanyl-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7309628
5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52553850
3-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 23411399

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28889421) is 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3c(F)cccc3F)[nH]c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RJFPMQRAIADVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2OS/c1-10-14(11-6-3-2-4-7-11)16-18(24)22-17(23-19(16)25-10)15-12(20)8-5-9-13(15)21/h2-9H,1H3,(H,22,23,24).
What are the key properties of 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 354.38 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28889421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).