2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol

C31H54N4O3Sn — CID 59605560

About 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol

2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol (PubChem CID 59605560) has the molecular formula C31H54N4O3Sn and a molecular weight of 649.51 g/mol. Its IUPAC name is 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol
• PubChem CID: 59605560
• Molecular Formula: C31H54N4O3Sn
• Molecular Weight: 649.51 g/mol
• Exact Mass: 650.32
• IUPAC Name: 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol
• SMILES: CCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2oc(CN3CCC(C(C)(C)O)CC3)cc2n1
• InChI: InChI=1S/C19H27N4O3.3C4H9.Sn/c1-19(2,24)14-3-5-22(6-4-14)12-15-11-16-17(26-15)18(21-13-20-16)23-7-9-25-10-8-23;3*1-3-4-2;/h11,14,24H,3-10,12H2,1-2H3;3*1,3-4H2,2H3
• InChIKey: ZACODINUOHLGSE-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 74.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.51
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol?

The IUPAC name of 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol (CID 59605560) is 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol.

What is the SMILES notation for 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol?

The canonical SMILES for 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol is CCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2oc(CN3CCC(C(C)(C)O)CC3)cc2n1.

What is the InChIKey of 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol?

The InChIKey is ZACODINUOHLGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N4O3.3C4H9.Sn/c1-19(2,24)14-3-5-22(6-4-14)12-15-11-16-17(26-15)18(21-13-20-16)23-7-9-25-10-8-23;3*1-3-4-2;/h11,14,24H,3-10,12H2,1-2H3;3*1,3-4H2,2H3;.

What are the key properties of 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol?

2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 649.51 g/mol, XLogP of 6.10, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 59605560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).