N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide

C25H31Cl2F3N4O3Si — CID 140818438

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide (PubChem CID 140818438) has the molecular formula C25H31Cl2F3N4O3Si and a molecular weight of 591.53 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide
• PubChem CID: 140818438
• Molecular Formula: C25H31Cl2F3N4O3Si
• Molecular Weight: 591.53 g/mol
• Exact Mass: 590.15
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc2c(c1)CCCC2=NOCC(F)(F)F
• InChI: InChI=1S/C25H31Cl2F3N4O3Si/c1-24(2,3)38(4,5)37-12-11-34(23(35)20-21(26)31-15-32-22(20)27)17-9-10-18-16(13-17)7-6-8-19(18)33-36-14-25(28,29)30/h9-10,13,15H,6-8,11-12,14H2,1-5H3
• InChIKey: IMFOGAHCXFBCAU-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 76.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.53
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide (CID 140818438) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide is CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc2c(c1)CCCC2=NOCC(F)(F)F.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide?

The InChIKey is IMFOGAHCXFBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2F3N4O3Si/c1-24(2,3)38(4,5)37-12-11-34(23(35)20-21(26)31-15-32-22(20)27)17-9-10-18-16(13-17)7-6-8-19(18)33-36-14-25(28,29)30/h9-10,13,15H,6-8,11-12,14H2,1-5H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide has a molecular weight of 591.53 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 140818438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).