5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C17H10Cl2N4O2S — CID 139015088

IUPAC5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccc(=O)[nH]n3)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2N4O2S/c1-7-13(9-3-2-8(18)6-10(9)19)14-16(25)20-15(21-17(14)26-7)11-4-5-12(24)23-22-11/h2-6H,1H3,(H,23,24)(H,20,21,25)
InChIKeyYWRGWJPBLAQFLH-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.02
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 139015088) has the molecular formula C17H10Cl2N4O2S and a molecular weight of 405.27 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID139015088
Molecular FormulaC17H10Cl2N4O2S
Molecular Weight405.27 g/mol
Exact Mass403.99
IUPAC Name5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccc(=O)[nH]n3)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2N4O2S/c1-7-13(9-3-2-8(18)6-10(9)19)14-16(25)20-15(21-17(14)26-7)11-4-5-12(24)23-22-11/h2-6H,1H3,(H,23,24)(H,20,21,25)
InChIKeyYWRGWJPBLAQFLH-UHFFFAOYSA-N
XLogP4.02
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-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

5-(2,4-dichlorophenyl)-6-methyl-2-(1H-pyrrol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167783703
5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47290736
5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167920942
3-(2,4-dichlorophenyl)-1H-pyridazin-6-one
CID 43583824
5-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868599
5-(4-chloro-3-methylphenyl)-6-methyl-2-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888874
2-(6-oxo-1H-pyridazin-3-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 126830711
2-(2-chlorophenyl)-5-(2-methoxy-5-methylphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868542
2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868501
5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868538
5-(3,4-dichlorophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889177
5-(2-methoxy-5-methylphenyl)-6-methyl-2-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888892

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 139015088) is 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3ccc(=O)[nH]n3)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YWRGWJPBLAQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O2S/c1-7-13(9-3-2-8(18)6-10(9)19)14-16(25)20-15(21-17(14)26-7)11-4-5-12(24)23-22-11/h2-6H,1H3,(H,23,24)(H,20,21,25).
What are the key properties of 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 405.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139015088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).