2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine

C11H17N3O — CID 83916591

IUPAC2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1ncc(C2CCOCC2)cn1
InChIInChI=1S/C11H17N3O/c12-4-1-11-13-7-10(8-14-11)9-2-5-15-6-3-9/h7-9H,1-6,12H2
InChIKeyODHAUMJSIMIDHI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds3

About 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine

2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine (PubChem CID 83916591) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
PubChem CID83916591
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1ncc(C2CCOCC2)cn1
InChIInChI=1S/C11H17N3O/c12-4-1-11-13-7-10(8-14-11)9-2-5-15-6-3-9/h7-9H,1-6,12H2
InChIKeyODHAUMJSIMIDHI-UHFFFAOYSA-N
XLogP0.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine 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-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine (CID 83916591) is 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine is NCCc1ncc(C2CCOCC2)cn1.
What is the InChIKey of 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is ODHAUMJSIMIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-4-1-11-13-7-10(8-14-11)9-2-5-15-6-3-9/h7-9H,1-6,12H2.
What are the key properties of 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 83916591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).