2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide

C14H20N4O9 — CID 58271903

About 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide

2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide (PubChem CID 58271903) has the molecular formula C14H20N4O9 and a molecular weight of 388.33 g/mol. Its IUPAC name is 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide
• PubChem CID: 58271903
• Molecular Formula: C14H20N4O9
• Molecular Weight: 388.33 g/mol
• Exact Mass: 388.12
• IUPAC Name: 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide
• SMILES: NC(=O)COCOCC(=O)Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)n1
• InChI: InChI=1S/C14H20N4O9/c15-8(20)4-25-6-26-5-10(21)16-9-1-2-18(14(24)17-9)13-12(23)11(22)7(3-19)27-13/h1-2,7,11-13,19,22-23H,3-6H2,(H2,15,20)(H,16,17,21,24)/t7-,11?,12+,13-/m1/s1
• InChIKey: QNIZDQZAMKTTAD-SRDPFQNMSA-N
• XLogP: -3.73
• TPSA: 195.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.33
LogP ≤ 5	-3.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide?

The IUPAC name of 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide (CID 58271903) is 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide.

What is the SMILES notation for 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide?

The canonical SMILES for 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide is NC(=O)COCOCC(=O)Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)n1.

What is the InChIKey of 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide?

The InChIKey is QNIZDQZAMKTTAD-SRDPFQNMSA-N. The full InChI is InChI=1S/C14H20N4O9/c15-8(20)4-25-6-26-5-10(21)16-9-1-2-18(14(24)17-9)13-12(23)11(22)7(3-19)27-13/h1-2,7,11-13,19,22-23H,3-6H2,(H2,15,20)(H,16,17,21,24)/t7-,11?,12+,13-/m1/s1.

What are the key properties of 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide?

2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide has a molecular weight of 388.33 g/mol, XLogP of -3.73, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide is sourced from PubChem (CID 58271903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).