methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate

C15H27N3O3Si — CID 176747637

IUPACmethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N(C)CCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C15H27N3O3Si/c1-15(2,3)22(6,7)21-11-10-18(4)14-16-9-8-12(17-14)13(19)20-5/h8-9H,10-11H2,1-7H3
InChIKeyCBNWYBVFGSGWSH-UHFFFAOYSA-N
MW325.49 g/mol
LogP2.72
Rot. Bonds6

About methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate

methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate (PubChem CID 176747637) has the molecular formula C15H27N3O3Si and a molecular weight of 325.49 g/mol. Its IUPAC name is methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate
PubChem CID176747637
Molecular FormulaC15H27N3O3Si
Molecular Weight325.49 g/mol
Exact Mass325.18
IUPAC Namemethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N(C)CCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C15H27N3O3Si/c1-15(2,3)22(6,7)21-11-10-18(4)14-16-9-8-12(17-14)13(19)20-5/h8-9H,10-11H2,1-7H3
InChIKeyCBNWYBVFGSGWSH-UHFFFAOYSA-N
XLogP2.72
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate
CID 69356303
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
CID 166457077
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline
CID 170900396
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
CID 131748526
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile
CID 122154492
methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 54470392
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
CID 11001374
3-borono-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]benzoic acid
CID 58420009
N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109303441

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate (CID 176747637) is methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate is COC(=O)c1ccnc(N(C)CCO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate?
The InChIKey is CBNWYBVFGSGWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3Si/c1-15(2,3)22(6,7)21-11-10-18(4)14-16-9-8-12(17-14)13(19)20-5/h8-9H,10-11H2,1-7H3.
What are the key properties of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate?
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate has a molecular weight of 325.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate is sourced from PubChem (CID 176747637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).