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

C19H11Cl2FN2OS — CID 7629258

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl2FN2OS/c20-13-4-1-12(16(21)7-13)8-24-10-23-18-17(19(24)25)15(9-26-18)11-2-5-14(22)6-3-11/h1-7,9-10H,8H2
InChIKeyDDPABEQVKYUUID-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.62
Rot. Bonds3

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

3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 7629258) has the molecular formula C19H11Cl2FN2OS and a molecular weight of 405.28 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID7629258
Molecular FormulaC19H11Cl2FN2OS
Molecular Weight405.28 g/mol
Exact Mass404.00
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl2FN2OS/c20-13-4-1-12(16(21)7-13)8-24-10-23-18-17(19(24)25)15(9-26-18)11-2-5-14(22)6-3-11/h1-7,9-10H,8H2
InChIKeyDDPABEQVKYUUID-UHFFFAOYSA-N
XLogP5.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-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-[(2,4-dichlorophenyl)methyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 2792202
3-[(5-chloroquinolin-8-yl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
CID 38865784
3-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 16590943
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2,4-dichlorophenyl)acetamide
CID 40883304
5-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
CID 24674180
3-[(3-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673679
5-(4-chlorophenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18099654
5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 2792360
3-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629149
5-(4-chlorophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 1191816
5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 7629324

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one (CID 7629258) is 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DDPABEQVKYUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2OS/c20-13-4-1-12(16(21)7-13)8-24-10-23-18-17(19(24)25)15(9-26-18)11-2-5-14(22)6-3-11/h1-7,9-10H,8H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one?
3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 405.28 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7629258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).