2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C22H20Cl2FN5OS — CID 58123393

IUPAC2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C22H20Cl2FN5OS/c23-14-10-15(24)12-18(11-14)29-5-7-30(8-6-29)22-27-19-4-9-32(31)20(19)21(28-22)26-17-3-1-2-16(25)13-17/h1-3,10-13H,4-9H2,(H,26,27,28)
InChIKeyWPRQGIFZIKCQHB-UHFFFAOYSA-N
MW492.41 g/mol
LogP4.66
Rot. Bonds4

About 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58123393) has the molecular formula C22H20Cl2FN5OS and a molecular weight of 492.41 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58123393
Molecular FormulaC22H20Cl2FN5OS
Molecular Weight492.41 g/mol
Exact Mass491.07
IUPAC Name2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C22H20Cl2FN5OS/c23-14-10-15(24)12-18(11-14)29-5-7-30(8-6-29)22-27-19-4-9-32(31)20(19)21(28-22)26-17-3-1-2-16(25)13-17/h1-3,10-13H,4-9H2,(H,26,27,28)
InChIKeyWPRQGIFZIKCQHB-UHFFFAOYSA-N
XLogP4.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58123393) is 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WPRQGIFZIKCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN5OS/c23-14-10-15(24)12-18(11-14)29-5-7-30(8-6-29)22-27-19-4-9-32(31)20(19)21(28-22)26-17-3-1-2-16(25)13-17/h1-3,10-13H,4-9H2,(H,26,27,28).
What are the key properties of 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 492.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58123393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).