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

C19H12ClFN2OS — CID 28868501

IUPAC2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccccc3Cl)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN2OS/c1-10-15(11-6-8-12(21)9-7-11)16-18(24)22-17(23-19(16)25-10)13-4-2-3-5-14(13)20/h2-9H,1H3,(H,22,23,24)
InChIKeyLJGXZZNRCLAWKR-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.42
Rot. Bonds2

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

2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868501) has the molecular formula C19H12ClFN2OS and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868501
Molecular FormulaC19H12ClFN2OS
Molecular Weight370.84 g/mol
Exact Mass370.03
IUPAC Name2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccccc3Cl)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN2OS/c1-10-15(11-6-8-12(21)9-7-11)16-18(24)22-17(23-19(16)25-10)13-4-2-3-5-14(13)20/h2-9H,1H3,(H,22,23,24)
InChIKeyLJGXZZNRCLAWKR-UHFFFAOYSA-N
XLogP5.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868501) is 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3ccccc3Cl)[nH]c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LJGXZZNRCLAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2OS/c1-10-15(11-6-8-12(21)9-7-11)16-18(24)22-17(23-19(16)25-10)13-4-2-3-5-14(13)20/h2-9H,1H3,(H,22,23,24).
What are the key properties of 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 370.84 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).