6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol

C18H31FN2O3Si — CID 66653004

IUPAC6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol
SMILESCC1OC(c2ccncc2N)C(F)C(O[Si](C)(C)C(C)(C)C)C1(C)O
InChIInChI=1S/C18H31FN2O3Si/c1-11-18(5,22)16(24-25(6,7)17(2,3)4)14(19)15(23-11)12-8-9-21-10-13(12)20/h8-11,14-16,22H,20H2,1-7H3
InChIKeyRLCXIBVIZKXIJT-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.60
Rot. Bonds3

About 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol

6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol (PubChem CID 66653004) has the molecular formula C18H31FN2O3Si and a molecular weight of 370.54 g/mol. Its IUPAC name is 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol.

Molecular Properties

Compound Name6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol
PubChem CID66653004
Molecular FormulaC18H31FN2O3Si
Molecular Weight370.54 g/mol
Exact Mass370.21
IUPAC Name6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol
SMILESCC1OC(c2ccncc2N)C(F)C(O[Si](C)(C)C(C)(C)C)C1(C)O
InChIInChI=1S/C18H31FN2O3Si/c1-11-18(5,22)16(24-25(6,7)17(2,3)4)14(19)15(23-11)12-8-9-21-10-13(12)20/h8-11,14-16,22H,20H2,1-7H3
InChIKeyRLCXIBVIZKXIJT-UHFFFAOYSA-N
XLogP3.60
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
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 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol?
The IUPAC name of 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol (CID 66653004) is 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol.
What is the SMILES notation for 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol?
The canonical SMILES for 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol is CC1OC(c2ccncc2N)C(F)C(O[Si](C)(C)C(C)(C)C)C1(C)O.
What is the InChIKey of 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol?
The InChIKey is RLCXIBVIZKXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2O3Si/c1-11-18(5,22)16(24-25(6,7)17(2,3)4)14(19)15(23-11)12-8-9-21-10-13(12)20/h8-11,14-16,22H,20H2,1-7H3.
What are the key properties of 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol?
6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol has a molecular weight of 370.54 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyloxan-3-ol is sourced from PubChem (CID 66653004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).