tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate

C20H38N4O4Si — CID 68628541

IUPACtert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
SMILESCOc1ccc(N)c(NCC(CNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C20H38N4O4Si/c1-19(2,3)27-18(25)23-13-14(28-29(8,9)20(4,5)6)12-22-17-15(21)10-11-16(24-17)26-7/h10-11,14H,12-13,21H2,1-9H3,(H,22,24)(H,23,25)
InChIKeyRGCILGDAUVAIFP-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.00
Rot. Bonds8

About tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate

tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate (PubChem CID 68628541) has the molecular formula C20H38N4O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
PubChem CID68628541
Molecular FormulaC20H38N4O4Si
Molecular Weight426.63 g/mol
Exact Mass426.27
IUPAC Nametert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
SMILESCOc1ccc(N)c(NCC(CNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C20H38N4O4Si/c1-19(2,3)27-18(25)23-13-14(28-29(8,9)20(4,5)6)12-22-17-15(21)10-11-16(24-17)26-7/h10-11,14H,12-13,21H2,1-9H3,(H,22,24)(H,23,25)
InChIKeyRGCILGDAUVAIFP-UHFFFAOYSA-N
XLogP4.00
TPSA107.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
2,2,2-trichloroethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11113362
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
CID 175783177
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 140880816
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate (CID 68628541) is tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate is COc1ccc(N)c(NCC(CNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
The InChIKey is RGCILGDAUVAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O4Si/c1-19(2,3)27-18(25)23-13-14(28-29(8,9)20(4,5)6)12-22-17-15(21)10-11-16(24-17)26-7/h10-11,14H,12-13,21H2,1-9H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate has a molecular weight of 426.63 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate is sourced from PubChem (CID 68628541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).