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

C33H44Cl2N8O4S2 — CID 161280208

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

2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (PubChem CID 161280208) has the molecular formula C33H44Cl2N8O4S2 and a molecular weight of 751.81 g/mol. Its IUPAC name is 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
• PubChem CID: 161280208
• Molecular Formula: C33H44Cl2N8O4S2
• Molecular Weight: 751.81 g/mol
• Exact Mass: 750.23
• IUPAC Name: 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
• SMILES: C.O=S1CCc2nc(Cl)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCN(c4ccccc4Cl)CC3)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C21H26ClN5O2S.C11H14ClN3O2S.CH4/c22-16-3-1-2-4-18(16)26-8-10-27(11-9-26)21-24-17-7-14-30(28)19(17)20(25-21)23-15-5-12-29-13-6-15;12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7;/h1-4,15H,5-14H2,(H,23,24,25);7H,1-6H2,(H,13,14,15);1H4
• InChIKey: VEZBDXRBLIENIN-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 134.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.81
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (CID 161280208) is 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

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

The canonical SMILES for 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is C.O=S1CCc2nc(Cl)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCN(c4ccccc4Cl)CC3)nc(NC3CCOCC3)c21.

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

The InChIKey is VEZBDXRBLIENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2S.C11H14ClN3O2S.CH4/c22-16-3-1-2-4-18(16)26-8-10-27(11-9-26)21-24-17-7-14-30(28)19(17)20(25-21)23-15-5-12-29-13-6-15;12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7;/h1-4,15H,5-14H2,(H,23,24,25);7H,1-6H2,(H,13,14,15);1H4.

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

2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane has a molecular weight of 751.81 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 161280208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).