N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine

C24H48N4O2Si2 — CID 155663679

About N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine

N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine (PubChem CID 155663679) has the molecular formula C24H48N4O2Si2 and a molecular weight of 480.85 g/mol. Its IUPAC name is N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine
• PubChem CID: 155663679
• Molecular Formula: C24H48N4O2Si2
• Molecular Weight: 480.85 g/mol
• Exact Mass: 480.33
• IUPAC Name: N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine
• SMILES: CC(C)[Si](O[C@H]1C[C@H](Nc2ncncn2)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C24H48N4O2Si2/c1-17(2)32(18(3)4,19(5)6)30-22-13-21(28-23-26-15-25-16-27-23)12-20(22)14-29-31(10,11)24(7,8)9/h15-22H,12-14H2,1-11H3,(H,25,26,27,28)/t20-,21-,22+/m1/s1
• InChIKey: NEAUIDQRPMNHEO-VSKRKVRLSA-N
• XLogP: 6.64
• TPSA: 69.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.85
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine?

The IUPAC name of N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine (CID 155663679) is N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine?

The canonical SMILES for N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine is CC(C)[Si](O[C@H]1C[C@H](Nc2ncncn2)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine?

The InChIKey is NEAUIDQRPMNHEO-VSKRKVRLSA-N. The full InChI is InChI=1S/C24H48N4O2Si2/c1-17(2)32(18(3)4,19(5)6)30-22-13-21(28-23-26-15-25-16-27-23)12-20(22)14-29-31(10,11)24(7,8)9/h15-22H,12-14H2,1-11H3,(H,25,26,27,28)/t20-,21-,22+/m1/s1.

What are the key properties of N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine?

N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine has a molecular weight of 480.85 g/mol, XLogP of 6.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 155663679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).