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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dichlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196026
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24887197
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 25195810
2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one
CID 24991648
N-[(4-chlorophenyl)methyl]-2-[3-[(2-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922115
2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one
CID 143767822
2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 50844448
N-[(4-fluorophenyl)methyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
CID 46666129
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 25197257
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 25196347
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-[2-(4-chlorophenyl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 53366555

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).