tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)

C47H63N9O19 — CID 160680357

About tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)

tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine) (PubChem CID 160680357) has the molecular formula C47H63N9O19 and a molecular weight of 1058.06 g/mol. Its IUPAC name is tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine).

Molecular Properties

• Compound Name: tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)
• PubChem CID: 160680357
• Molecular Formula: C47H63N9O19
• Molecular Weight: 1058.06 g/mol
• Exact Mass: 1057.42
• IUPAC Name: tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)
• SMILES: CCN(CC)C(=O)C(Oc1nc(OC)cc(OC)n1)c1ccccc1.CCOc1nc(OC)cc(OC)n1.CCOc1nc(OC)cc(OC)n1.COc1cc(OC)nc(OCC(C)C)n1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C18H23N3O4.C10H16N2O3.2C8H12N2O3.3CO2/c1-5-21(6-2)17(22)16(13-10-8-7-9-11-13)25-18-19-14(23-3)12-15(20-18)24-4;1-7(2)6-15-10-11-8(13-3)5-9(12-10)14-4;2*1-4-13-8-9-6(11-2)5-7(10-8)12-3;3*2-1-3/h7-12,16H,5-6H2,1-4H3;5,7H,6H2,1-4H3;2*5H,4H2,1-3H3
• InChIKey: ROBGVGDBEWJYBP-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 336.61 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.06
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)?

The IUPAC name of tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine) (CID 160680357) is tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine).

What is the SMILES notation for tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)?

The canonical SMILES for tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine) is CCN(CC)C(=O)C(Oc1nc(OC)cc(OC)n1)c1ccccc1.CCOc1nc(OC)cc(OC)n1.CCOc1nc(OC)cc(OC)n1.COc1cc(OC)nc(OCC(C)C)n1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)?

The InChIKey is ROBGVGDBEWJYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4.C10H16N2O3.2C8H12N2O3.3CO2/c1-5-21(6-2)17(22)16(13-10-8-7-9-11-13)25-18-19-14(23-3)12-15(20-18)24-4;1-7(2)6-15-10-11-8(13-3)5-9(12-10)14-4;2*1-4-13-8-9-6(11-2)5-7(10-8)12-3;3*2-1-3/h7-12,16H,5-6H2,1-4H3;5,7H,6H2,1-4H3;2*5H,4H2,1-3H3;;;.

What are the key properties of tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine)?

tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine) has a molecular weight of 1058.06 g/mol, XLogP of 4.05, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);4,6-dimethoxy-2-(2-methylpropoxy)pyrimidine;2-(4,6-dimethoxypyrimidin-2-yl)oxy-N,N-diethyl-2-phenylacetamide;bis(2-ethoxy-4,6-dimethoxypyrimidine) is sourced from PubChem (CID 160680357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).