N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

C20H35IN4O5Si — CID 140914364

About N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 140914364) has the molecular formula C20H35IN4O5Si and a molecular weight of 566.51 g/mol. Its IUPAC name is N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

• Compound Name: N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
• PubChem CID: 140914364
• Molecular Formula: C20H35IN4O5Si
• Molecular Weight: 566.51 g/mol
• Exact Mass: 566.14
• IUPAC Name: N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
• SMILES: COCOC1C[C@H](n2cc(I)c(/N=C/N(C)C)nc2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H35IN4O5Si/c1-20(2,3)31(7,8)29-11-16-15(28-13-27-6)9-17(30-16)25-10-14(21)18(23-19(25)26)22-12-24(4)5/h10,12,15-17H,9,11,13H2,1-8H3/b22-12+/t15?,16-,17-/m1/s1
• InChIKey: FYOYHWJRJJZLQX-FSENAKKUSA-N
• XLogP: 3.37
• TPSA: 87.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.51
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?

The IUPAC name of N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 140914364) is N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

What is the SMILES notation for N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?

The canonical SMILES for N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is COCOC1C[C@H](n2cc(I)c(/N=C/N(C)C)nc2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?

The InChIKey is FYOYHWJRJJZLQX-FSENAKKUSA-N. The full InChI is InChI=1S/C20H35IN4O5Si/c1-20(2,3)31(7,8)29-11-16-15(28-13-27-6)9-17(30-16)25-10-14(21)18(23-19(25)26)22-12-24(4)5/h10,12,15-17H,9,11,13H2,1-8H3/b22-12+/t15?,16-,17-/m1/s1.

What are the key properties of N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?

N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 566.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 140914364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).