tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane

C13H23ClN2OSi — CID 171062417

IUPACtert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane
SMILESC[C@H](Cc1ccnc(Cl)n1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23ClN2OSi/c1-10(17-18(5,6)13(2,3)4)9-11-7-8-15-12(14)16-11/h7-8,10H,9H2,1-6H3/t10-/m1/s1
InChIKeyINQVBIPSDBBCLH-SNVBAGLBSA-N
MW286.88 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane (PubChem CID 171062417) has the molecular formula C13H23ClN2OSi and a molecular weight of 286.88 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane
PubChem CID171062417
Molecular FormulaC13H23ClN2OSi
Molecular Weight286.88 g/mol
Exact Mass286.13
IUPAC Nametert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane
SMILESC[C@H](Cc1ccnc(Cl)n1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23ClN2OSi/c1-10(17-18(5,6)13(2,3)4)9-11-7-8-15-12(14)16-11/h7-8,10H,9H2,1-6H3/t10-/m1/s1
InChIKeyINQVBIPSDBBCLH-SNVBAGLBSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.88
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
CID 158691450
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-chloropyrimidin-4-yl)methoxy]phenyl]propanoate
CID 156720760
2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine
CID 59019628
tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane
CID 171062298
2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine
CID 167592887
[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid
CID 171555424
N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine
CID 130536221
tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane
CID 171062294
4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]benzoic acid
CID 18927891
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
CID 12061429

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane (CID 171062417) is tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane is C[C@H](Cc1ccnc(Cl)n1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane?
The InChIKey is INQVBIPSDBBCLH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23ClN2OSi/c1-10(17-18(5,6)13(2,3)4)9-11-7-8-15-12(14)16-11/h7-8,10H,9H2,1-6H3/t10-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane has a molecular weight of 286.88 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 171062417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).