5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine

C18H24F2N2OSi — CID 58189649

IUPAC5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)ccc(-c2ccc(N)nc2)c1F
InChIInChI=1S/C18H24F2N2OSi/c1-18(2,3)24(4,5)23-11-14-15(19)8-7-13(17(14)20)12-6-9-16(21)22-10-12/h6-10H,11H2,1-5H3,(H2,21,22)
InChIKeyDUNRFVDYFSDUEV-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.13
Rot. Bonds4

About 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine

5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine (PubChem CID 58189649) has the molecular formula C18H24F2N2OSi and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine
PubChem CID58189649
Molecular FormulaC18H24F2N2OSi
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)ccc(-c2ccc(N)nc2)c1F
InChIInChI=1S/C18H24F2N2OSi/c1-18(2,3)24(4,5)23-11-14-15(19)8-7-13(17(14)20)12-6-9-16(21)22-10-12/h6-10H,11H2,1-5H3,(H2,21,22)
InChIKeyDUNRFVDYFSDUEV-UHFFFAOYSA-N
XLogP5.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine?
The IUPAC name of 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine (CID 58189649) is 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine?
The canonical SMILES for 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine is CC(C)(C)[Si](C)(C)OCc1c(F)ccc(-c2ccc(N)nc2)c1F.
What is the InChIKey of 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine?
The InChIKey is DUNRFVDYFSDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2OSi/c1-18(2,3)24(4,5)23-11-14-15(19)8-7-13(17(14)20)12-6-9-16(21)22-10-12/h6-10H,11H2,1-5H3,(H2,21,22).
What are the key properties of 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine?
5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine has a molecular weight of 350.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-difluorophenyl]pyridin-2-amine is sourced from PubChem (CID 58189649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).