N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide

C26H30Cl2N6O2Si — CID 86719989

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide (PubChem CID 86719989) has the molecular formula C26H30Cl2N6O2Si and a molecular weight of 557.56 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide
• PubChem CID: 86719989
• Molecular Formula: C26H30Cl2N6O2Si
• Molecular Weight: 557.56 g/mol
• Exact Mass: 556.16
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide
• SMILES: Cc1ncc(-n2ccc3cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c4c(Cl)ncnc4Cl)ccc32)cn1
• InChI: InChI=1S/C26H30Cl2N6O2Si/c1-17-29-14-20(15-30-17)33-10-9-18-13-19(7-8-21(18)33)34(11-12-36-37(5,6)26(2,3)4)25(35)22-23(27)31-16-32-24(22)28/h7-10,13-16H,11-12H2,1-6H3
• InChIKey: OFNSWQVTKDARSV-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.56
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide (CID 86719989) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide is Cc1ncc(-n2ccc3cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c4c(Cl)ncnc4Cl)ccc32)cn1.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide?

The InChIKey is OFNSWQVTKDARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N6O2Si/c1-17-29-14-20(15-30-17)33-10-9-18-13-19(7-8-21(18)33)34(11-12-36-37(5,6)26(2,3)4)25(35)22-23(27)31-16-32-24(22)28/h7-10,13-16H,11-12H2,1-6H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 557.56 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-(2-methylpyrimidin-5-yl)indol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 86719989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).