[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone

C34H55N3O5Si2 — CID 131745486

About [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone

[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone (PubChem CID 131745486) has the molecular formula C34H55N3O5Si2 and a molecular weight of 642.00 g/mol. Its IUPAC name is [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone
• PubChem CID: 131745486
• Molecular Formula: C34H55N3O5Si2
• Molecular Weight: 642.00 g/mol
• Exact Mass: 641.37
• IUPAC Name: [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone
• SMILES: CC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(C3=CCCO3)co2)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C34H55N3O5Si2/c1-22(2)44(23(3)4,24(5)6)42-30-17-27(15-25(30)20-41-43(10,11)34(7,8)9)37-33-28(18-35-21-36-33)32(38)31-16-26(19-40-31)29-13-12-14-39-29/h13,16,18-19,21-25,27,30H,12,14-15,17,20H2,1-11H3,(H,35,36,37)/t25-,27-,30+/m1/s1
• InChIKey: PBESSICPZHELDP-AHKAMDFCSA-N
• XLogP: 8.83
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.00
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone?

The IUPAC name of [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone (CID 131745486) is [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone.

What is the SMILES notation for [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone?

The canonical SMILES for [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone is CC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(C3=CCCO3)co2)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone?

The InChIKey is PBESSICPZHELDP-AHKAMDFCSA-N. The full InChI is InChI=1S/C34H55N3O5Si2/c1-22(2)44(23(3)4,24(5)6)42-30-17-27(15-25(30)20-41-43(10,11)34(7,8)9)37-33-28(18-35-21-36-33)32(38)31-16-26(19-40-31)29-13-12-14-39-29/h13,16,18-19,21-25,27,30H,12,14-15,17,20H2,1-11H3,(H,35,36,37)/t25-,27-,30+/m1/s1.

What are the key properties of [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone?

[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone has a molecular weight of 642.00 g/mol, XLogP of 8.83, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2,3-dihydrofuran-5-yl)furan-2-yl]methanone is sourced from PubChem (CID 131745486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).