5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine

C11H15FN2O2 — CID 118318088

IUPAC5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(N)(c2ccc(F)cn2)CO1
InChIInChI=1S/C11H15FN2O2/c1-10(2)15-6-11(13,7-16-10)9-4-3-8(12)5-14-9/h3-5H,6-7,13H2,1-2H3
InChIKeyGBGTZQRZVMYDAU-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.16
Rot. Bonds1

About 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine

5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 118318088) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID118318088
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(N)(c2ccc(F)cn2)CO1
InChIInChI=1S/C11H15FN2O2/c1-10(2)15-6-11(13,7-16-10)9-4-3-8(12)5-14-9/h3-5H,6-7,13H2,1-2H3
InChIKeyGBGTZQRZVMYDAU-UHFFFAOYSA-N
XLogP1.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(5-fluoro-2-pyridinyl)cyclopropan-1-amine
CID 79718780
1-ethyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
CID 83129047
[1-(5-fluoro-2-pyridinyl)cyclopentyl]methanamine
CID 130544640
1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
CID 83111334
4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
CID 83128324
methyl 1-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 130655929
2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
CID 112586926
N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
CID 114229715
4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
CID 112586653
3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171964645
2,5-difluoropyridine;ethane
CID 156832194
1-(5-fluoropyrimidin-2-yl)cyclopropan-1-amine
CID 67291362

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 118318088) is 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(N)(c2ccc(F)cn2)CO1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is GBGTZQRZVMYDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-10(2)15-6-11(13,7-16-10)9-4-3-8(12)5-14-9/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine?
5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 226.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 118318088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).