tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane

C30H51N5O2SSn — CID 59606055

About tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane

tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane (PubChem CID 59606055) has the molecular formula C30H51N5O2SSn and a molecular weight of 664.55 g/mol. Its IUPAC name is tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane.

Molecular Properties

• Compound Name: tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane
• PubChem CID: 59606055
• Molecular Formula: C30H51N5O2SSn
• Molecular Weight: 664.55 g/mol
• Exact Mass: 665.28
• IUPAC Name: tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2sc(CN3CC(N4CCOCC4)C3)cc2n1
• InChI: InChI=1S/C18H24N5O2S.3C4H9.Sn/c1-5-24-6-2-22(1)14-10-21(11-14)12-15-9-16-17(26-15)18(20-13-19-16)23-3-7-25-8-4-23;3*1-3-4-2;/h9,14H,1-8,10-12H2;3*1,3-4H2,2H3
• InChIKey: XMXBIDOHLBLYLF-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 53.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane?

The IUPAC name of tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane (CID 59606055) is tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane.

What is the SMILES notation for tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane?

The canonical SMILES for tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2sc(CN3CC(N4CCOCC4)C3)cc2n1.

What is the InChIKey of tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane?

The InChIKey is XMXBIDOHLBLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N5O2S.3C4H9.Sn/c1-5-24-6-2-22(1)14-10-21(11-14)12-15-9-16-17(26-15)18(20-13-19-16)23-3-7-25-8-4-23;3*1-3-4-2;/h9,14H,1-8,10-12H2;3*1,3-4H2,2H3;.

What are the key properties of tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane?

tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane has a molecular weight of 664.55 g/mol, XLogP of 5.10, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane is sourced from PubChem (CID 59606055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).