methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate

C24H28ClN3O3Si — CID 145392940

IUPACmethyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1ccnc(Cl)n1
InChIInChI=1S/C24H28ClN3O3Si/c1-24(2,3)32(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-17-20(22(29)30-4)27-21-15-16-26-23(25)28-21/h5-16,20H,17H2,1-4H3,(H,26,27,28)/t20-/m1/s1
InChIKeyZQZBRPOWGOHHSI-HXUWFJFHSA-N
MW470.05 g/mol
LogP3.66
Rot. Bonds8

About methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate

methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate (PubChem CID 145392940) has the molecular formula C24H28ClN3O3Si and a molecular weight of 470.05 g/mol. Its IUPAC name is methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate
PubChem CID145392940
Molecular FormulaC24H28ClN3O3Si
Molecular Weight470.05 g/mol
Exact Mass469.16
IUPAC Namemethyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1ccnc(Cl)n1
InChIInChI=1S/C24H28ClN3O3Si/c1-24(2,3)32(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-17-20(22(29)30-4)27-21-15-16-26-23(25)28-21/h5-16,20H,17H2,1-4H3,(H,26,27,28)/t20-/m1/s1
InChIKeyZQZBRPOWGOHHSI-HXUWFJFHSA-N
XLogP3.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.05
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate (CID 145392940) is methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate is COC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1ccnc(Cl)n1.
What is the InChIKey of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate?
The InChIKey is ZQZBRPOWGOHHSI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28ClN3O3Si/c1-24(2,3)32(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-17-20(22(29)30-4)27-21-15-16-26-23(25)28-21/h5-16,20H,17H2,1-4H3,(H,26,27,28)/t20-/m1/s1.
What are the key properties of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate?
methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate has a molecular weight of 470.05 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-chloropyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 145392940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).