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

C35H32Cl2F2N8O2S2 — CID 162073680

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

2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 162073680) has the molecular formula C35H32Cl2F2N8O2S2 and a molecular weight of 769.73 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 162073680
• Molecular Formula: C35H32Cl2F2N8O2S2
• Molecular Weight: 769.73 g/mol
• Exact Mass: 768.14
• IUPAC Name: 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: Cc1cc(Cl)ccc1N1CCN(c2nc3c(c(Nc4cccc(F)c4)n2)S(=O)CC3)CC1.O=S1CCc2nc(Cl)nc(Nc3cccc(F)c3)c21
• InChI: InChI=1S/C23H23ClFN5OS.C12H9ClFN3OS/c1-15-13-16(24)5-6-20(15)29-8-10-30(11-9-29)23-27-19-7-12-32(31)21(19)22(28-23)26-18-4-2-3-17(25)14-18;13-12-16-9-4-5-19(18)10(9)11(17-12)15-8-3-1-2-7(14)6-8/h2-6,13-14H,7-12H2,1H3,(H,26,27,28);1-3,6H,4-5H2,(H,15,16,17)
• InChIKey: ZBKSERHRFMTRPB-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.73
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 162073680) is 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1cc(Cl)ccc1N1CCN(c2nc3c(c(Nc4cccc(F)c4)n2)S(=O)CC3)CC1.O=S1CCc2nc(Cl)nc(Nc3cccc(F)c3)c21.

What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is ZBKSERHRFMTRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5OS.C12H9ClFN3OS/c1-15-13-16(24)5-6-20(15)29-8-10-30(11-9-29)23-27-19-7-12-32(31)21(19)22(28-23)26-18-4-2-3-17(25)14-18;13-12-16-9-4-5-19(18)10(9)11(17-12)15-8-3-1-2-7(14)6-8/h2-6,13-14H,7-12H2,1H3,(H,26,27,28);1-3,6H,4-5H2,(H,15,16,17).

What are the key properties of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 769.73 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 162073680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).