5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine

C13H19FN4O — CID 80850544

IUPAC5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H19FN4O/c1-2-5-15-13-16-6-11(14)12(17-13)18-7-9-3-4-10(8-18)19-9/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyXLHOMUQUJABOQW-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.81
Rot. Bonds4

About 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine

5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine (PubChem CID 80850544) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine
PubChem CID80850544
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H19FN4O/c1-2-5-15-13-16-6-11(14)12(17-13)18-7-9-3-4-10(8-18)19-9/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyXLHOMUQUJABOQW-UHFFFAOYSA-N
XLogP1.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine (CID 80850544) is 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine?
The InChIKey is XLHOMUQUJABOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-5-15-13-16-6-11(14)12(17-13)18-7-9-3-4-10(8-18)19-9/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine has a molecular weight of 266.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80850544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).