methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate

C36H54FN5O6Si — CID 144707970

About methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate

methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate (PubChem CID 144707970) has the molecular formula C36H54FN5O6Si and a molecular weight of 699.94 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate.

Molecular Properties

• Compound Name: methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate
• PubChem CID: 144707970
• Molecular Formula: C36H54FN5O6Si
• Molecular Weight: 699.94 g/mol
• Exact Mass: 699.38
• IUPAC Name: methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate
• SMILES: COC(=O)N(CC(COc1cccc(-c2nc(NCC3CCOCC3)c(F)c(-c3c(C)noc3C)n2)c1)O[Si](C)(C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C36H54FN5O6Si/c1-23-29(24(2)47-41-23)31-30(37)33(38-20-25-15-17-45-18-16-25)40-32(39-31)26-13-12-14-27(19-26)46-22-28(48-49(10,11)36(6,7)8)21-42(34(43)44-9)35(3,4)5/h12-14,19,25,28H,15-18,20-22H2,1-11H3,(H,38,39,40)
• InChIKey: KWLZQVCPVYZKFW-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 121.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.94
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate?

The IUPAC name of methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate (CID 144707970) is methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate.

What is the SMILES notation for methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate?

The canonical SMILES for methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate is COC(=O)N(CC(COc1cccc(-c2nc(NCC3CCOCC3)c(F)c(-c3c(C)noc3C)n2)c1)O[Si](C)(C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate?

The InChIKey is KWLZQVCPVYZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54FN5O6Si/c1-23-29(24(2)47-41-23)31-30(37)33(38-20-25-15-17-45-18-16-25)40-32(39-31)26-13-12-14-27(19-26)46-22-28(48-49(10,11)36(6,7)8)21-42(34(43)44-9)35(3,4)5/h12-14,19,25,28H,15-18,20-22H2,1-11H3,(H,38,39,40).

What are the key properties of methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate?

methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate has a molecular weight of 699.94 g/mol, XLogP of 8.03, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-(oxan-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propyl]carbamate is sourced from PubChem (CID 144707970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).