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

C13H20N4O — CID 128564520

IUPAC2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nccc(NCCN2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H20N4O/c1-10-14-5-4-13(16-10)15-6-7-17-8-11-2-3-12(9-17)18-11/h4-5,11-12H,2-3,6-9H2,1H3,(H,14,15,16)
InChIKeyMWSHDJLXSXYJSV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds4

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

2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 128564520) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine
PubChem CID128564520
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nccc(NCCN2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H20N4O/c1-10-14-5-4-13(16-10)15-6-7-17-8-11-2-3-12(9-17)18-11/h4-5,11-12H,2-3,6-9H2,1H3,(H,14,15,16)
InChIKeyMWSHDJLXSXYJSV-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-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 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine (CID 128564520) is 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine is Cc1nccc(NCCN2CC3CCC(C2)O3)n1.
What is the InChIKey of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MWSHDJLXSXYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-14-5-4-13(16-10)15-6-7-17-8-11-2-3-12(9-17)18-11/h4-5,11-12H,2-3,6-9H2,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine?
2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 128564520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).