tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane

C15H24Cl2FN3O2Si — CID 87758465

IUPACtert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C15H24Cl2FN3O2Si/c1-15(2,3)24(4,5)23-9-10-8-22-7-6-21(10)13-11(18)12(16)19-14(17)20-13/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyWMJDKSNDJYBGNA-JTQLQIEISA-N
MW396.37 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane

tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane (PubChem CID 87758465) has the molecular formula C15H24Cl2FN3O2Si and a molecular weight of 396.37 g/mol. Its IUPAC name is tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane
PubChem CID87758465
Molecular FormulaC15H24Cl2FN3O2Si
Molecular Weight396.37 g/mol
Exact Mass395.10
IUPAC Nametert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C15H24Cl2FN3O2Si/c1-15(2,3)24(4,5)23-9-10-8-22-7-6-21(10)13-11(18)12(16)19-14(17)20-13/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyWMJDKSNDJYBGNA-JTQLQIEISA-N
XLogP4.15
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane (CID 87758465) is tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane?
The InChIKey is WMJDKSNDJYBGNA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24Cl2FN3O2Si/c1-15(2,3)24(4,5)23-9-10-8-22-7-6-21(10)13-11(18)12(16)19-14(17)20-13/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane has a molecular weight of 396.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 87758465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).