3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one

C19H13ClFN3OS — CID 25196128

IUPAC3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFN3OS/c20-14-5-1-12(2-6-14)11-22-24-18(13-3-7-15(21)8-4-13)23-16-9-10-26-17(16)19(24)25/h1-10,22H,11H2
InChIKeyLHNMVGPOIHQMEF-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.66
Rot. Bonds4

About 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one

3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 25196128) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID25196128
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC Name3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFN3OS/c20-14-5-1-12(2-6-14)11-22-24-18(13-3-7-15(21)8-4-13)23-16-9-10-26-17(16)19(24)25/h1-10,22H,11H2
InChIKeyLHNMVGPOIHQMEF-UHFFFAOYSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one (CID 25196128) is 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LHNMVGPOIHQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c20-14-5-1-12(2-6-14)11-22-24-18(13-3-7-15(21)8-4-13)23-16-9-10-26-17(16)19(24)25/h1-10,22H,11H2.
What are the key properties of 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one?
3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 385.85 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 25196128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).