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

C11H15FN4O — CID 80850463

IUPAC5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H15FN4O/c1-13-11-14-4-9(12)10(15-11)16-5-7-2-3-8(6-16)17-7/h4,7-8H,2-3,5-6H2,1H3,(H,13,14,15)
InChIKeyAAVOLORTKGUJSH-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.02
Rot. Bonds2

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

5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine (PubChem CID 80850463) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
PubChem CID80850463
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H15FN4O/c1-13-11-14-4-9(12)10(15-11)16-5-7-2-3-8(6-16)17-7/h4,7-8H,2-3,5-6H2,1H3,(H,13,14,15)
InChIKeyAAVOLORTKGUJSH-UHFFFAOYSA-N
XLogP1.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine (CID 80850463) is 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
The InChIKey is AAVOLORTKGUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-13-11-14-4-9(12)10(15-11)16-5-7-2-3-8(6-16)17-7/h4,7-8H,2-3,5-6H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine has a molecular weight of 238.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 80850463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).