N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)

C48H78F3N9O19 — CID 165022478

About N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)

N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane) (PubChem CID 165022478) has the molecular formula C48H78F3N9O19 and a molecular weight of 1151.23 g/mol. Its IUPAC name is N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane).

Molecular Properties

• Compound Name: N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)
• PubChem CID: 165022478
• Molecular Formula: C48H78F3N9O19
• Molecular Weight: 1151.23 g/mol
• Exact Mass: 1150.58
• IUPAC Name: N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)
• SMILES: [2H]C1OC(n2cc(C)c(=O)n(CCCCCNC(C)=O)c2=O)CC1O.[2H]C1OC(n2cc(C)c(=O)n(CCCNC(=O)C(F)(F)F)c2=O)CC1O.[2H]C1OC(n2cc(C)c(=O)n(CCOCCNC(C)=O)c2=O)CC1O.[3H]OC.[3H]OC.[3H]OC
• InChI: InChI=1S/C16H25N3O5.C15H23N3O6.C14H18F3N3O5.3CH4O/c1-11-9-19(14-8-13(21)10-24-14)16(23)18(15(11)22)7-5-3-4-6-17-12(2)20;1-10-8-18(13-7-12(20)9-24-13)15(22)17(14(10)21)4-6-23-5-3-16-11(2)19;1-8-6-20(10-5-9(21)7-25-10)13(24)19(11(8)22)4-2-3-18-12(23)14(15,16)17;3*1-2/h9,13-14,21H,3-8,10H2,1-2H3,(H,17,20);8,12-13,20H,3-7,9H2,1-2H3,(H,16,19);6,9-10,21H,2-5,7H2,1H3,(H,18,23);3*2H,1H3/i10D;9D;7D;3*2T
• InChIKey: LJKYLPPCOPDTBZ-TVULWBDHSA-N
• XLogP: -2.85
• TPSA: 377.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1151.23
LogP ≤ 5	-2.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)?

The IUPAC name of N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane) (CID 165022478) is N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane).

What is the SMILES notation for N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)?

The canonical SMILES for N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane) is [2H]C1OC(n2cc(C)c(=O)n(CCCCCNC(C)=O)c2=O)CC1O.[2H]C1OC(n2cc(C)c(=O)n(CCCNC(=O)C(F)(F)F)c2=O)CC1O.[2H]C1OC(n2cc(C)c(=O)n(CCOCCNC(C)=O)c2=O)CC1O.[3H]OC.[3H]OC.[3H]OC.

What is the InChIKey of N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)?

The InChIKey is LJKYLPPCOPDTBZ-TVULWBDHSA-N. The full InChI is InChI=1S/C16H25N3O5.C15H23N3O6.C14H18F3N3O5.3CH4O/c1-11-9-19(14-8-13(21)10-24-14)16(23)18(15(11)22)7-5-3-4-6-17-12(2)20;1-10-8-18(13-7-12(20)9-24-13)15(22)17(14(10)21)4-6-23-5-3-16-11(2)19;1-8-6-20(10-5-9(21)7-25-10)13(24)19(11(8)22)4-2-3-18-12(23)14(15,16)17;3*1-2/h9,13-14,21H,3-8,10H2,1-2H3,(H,17,20);8,12-13,20H,3-7,9H2,1-2H3,(H,16,19);6,9-10,21H,2-5,7H2,1H3,(H,18,23);3*2H,1H3/i10D;9D;7D;3*2T.

What are the key properties of N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane)?

N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane) has a molecular weight of 1151.23 g/mol, XLogP of -2.85, 19 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]ethoxy]ethyl]acetamide;N-[5-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]pentyl]acetamide;N-[3-[3-(5-deuterio-4-hydroxyoxolan-2-yl)-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-2,2,2-trifluoroacetamide;tris(tritiooxymethane) is sourced from PubChem (CID 165022478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).