N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C24H32F3N5OSi — CID 174069014

About N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine

N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 174069014) has the molecular formula C24H32F3N5OSi and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 174069014
• Molecular Formula: C24H32F3N5OSi
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.23
• IUPAC Name: N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CC(C)(C)[Si](C)(C)OC1CNC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)C1
• InChI: InChI=1S/C24H32F3N5OSi/c1-23(2,3)34(4,5)33-16-10-15(11-28-12-16)31-22-30-14-19(24(25,26)27)21(32-22)18-13-29-20-9-7-6-8-17(18)20/h6-9,13-16,28-29H,10-12H2,1-5H3,(H,30,31,32)/t15-,16?/m0/s1
• InChIKey: OOLMIYYDOGTOAM-VYRBHSGPSA-N
• XLogP: 5.81
• TPSA: 74.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 174069014) is N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)(C)[Si](C)(C)OC1CNC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)C1.

What is the InChIKey of N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is OOLMIYYDOGTOAM-VYRBHSGPSA-N. The full InChI is InChI=1S/C24H32F3N5OSi/c1-23(2,3)34(4,5)33-16-10-15(11-28-12-16)31-22-30-14-19(24(25,26)27)21(32-22)18-13-29-20-9-7-6-8-17(18)20/h6-9,13-16,28-29H,10-12H2,1-5H3,(H,30,31,32)/t15-,16?/m0/s1.

What are the key properties of N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 491.63 g/mol, XLogP of 5.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 174069014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).