4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide

C79H96N16O20 — CID 161248707

About 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide

4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide (PubChem CID 161248707) has the molecular formula C79H96N16O20 and a molecular weight of 1589.73 g/mol. Its IUPAC name is 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide
• PubChem CID: 161248707
• Molecular Formula: C79H96N16O20
• Molecular Weight: 1589.73 g/mol
• Exact Mass: 1588.70
• IUPAC Name: 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide
• SMILES: C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCCc2ccccc2)c(N)nc1=O.C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2ccccc2)c(N)nc1=O.C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2cccc3ccccc23)c(N)nc1=O.C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2ccccc2)c(N)nc1=O
• InChI: InChI=1S/C22H24N4O5.C20H26N4O5.C19H24N4O5.C18H22N4O5/c1-12-18(28)17(11-27)31-21(12)26-10-16(19(23)25-22(26)30)20(29)24-9-14-7-4-6-13-5-2-3-8-15(13)14;1-12-16(26)15(11-25)29-19(12)24-10-14(17(21)23-20(24)28)18(27)22-9-5-8-13-6-3-2-4-7-13;1-11-15(25)14(10-24)28-18(11)23-9-13(16(20)22-19(23)27)17(26)21-8-7-12-5-3-2-4-6-12;1-10-14(24)13(9-23)27-17(10)22-8-12(15(19)21-18(22)26)16(25)20-7-11-5-3-2-4-6-11/h2-8,10,12,17-18,21,27-28H,9,11H2,1H3,(H,24,29)(H2,23,25,30);2-4,6-7,10,12,15-16,19,25-26H,5,8-9,11H2,1H3,(H,22,27)(H2,21,23,28);2-6,9,11,14-15,18,24-25H,7-8,10H2,1H3,(H,21,26)(H2,20,22,27);2-6,8,10,13-14,17,23-24H,7,9H2,1H3,(H,20,25)(H2,19,21,26)/t12-,17+,18?,21+;12-,15+,16?,19+;11-,14+,15?,18+;10-,13+,14?,17+/m0000/s1
• InChIKey: VAZDZSLIIJXKGQ-HQMVGJLPSA-N
• XLogP: 0.20
• TPSA: 558.80 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.73
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide?

The IUPAC name of 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide (CID 161248707) is 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide is C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCCc2ccccc2)c(N)nc1=O.C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2ccccc2)c(N)nc1=O.C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2cccc3ccccc23)c(N)nc1=O.C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2ccccc2)c(N)nc1=O.

What is the InChIKey of 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide?

The InChIKey is VAZDZSLIIJXKGQ-HQMVGJLPSA-N. The full InChI is InChI=1S/C22H24N4O5.C20H26N4O5.C19H24N4O5.C18H22N4O5/c1-12-18(28)17(11-27)31-21(12)26-10-16(19(23)25-22(26)30)20(29)24-9-14-7-4-6-13-5-2-3-8-15(13)14;1-12-16(26)15(11-25)29-19(12)24-10-14(17(21)23-20(24)28)18(27)22-9-5-8-13-6-3-2-4-7-13;1-11-15(25)14(10-24)28-18(11)23-9-13(16(20)22-19(23)27)17(26)21-8-7-12-5-3-2-4-6-12;1-10-14(24)13(9-23)27-17(10)22-8-12(15(19)21-18(22)26)16(25)20-7-11-5-3-2-4-6-11/h2-8,10,12,17-18,21,27-28H,9,11H2,1H3,(H,24,29)(H2,23,25,30);2-4,6-7,10,12,15-16,19,25-26H,5,8-9,11H2,1H3,(H,22,27)(H2,21,23,28);2-6,9,11,14-15,18,24-25H,7-8,10H2,1H3,(H,21,26)(H2,20,22,27);2-6,8,10,13-14,17,23-24H,7,9H2,1H3,(H,20,25)(H2,19,21,26)/t12-,17+,18?,21+;12-,15+,16?,19+;11-,14+,15?,18+;10-,13+,14?,17+/m0000/s1.

What are the key properties of 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide?

4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide has a molecular weight of 1589.73 g/mol, XLogP of 0.20, 23 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 161248707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).