2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine

C11H17N3O — CID 65333628

IUPAC2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(C2CCCOC2)nc1
InChIInChI=1S/C11H17N3O/c12-4-3-9-6-13-11(14-7-9)10-2-1-5-15-8-10/h6-7,10H,1-5,8,12H2
InChIKeyMZRQGNNVIHNTMP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds3

About 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine

2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine (PubChem CID 65333628) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
PubChem CID65333628
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(C2CCCOC2)nc1
InChIInChI=1S/C11H17N3O/c12-4-3-9-6-13-11(14-7-9)10-2-1-5-15-8-10/h6-7,10H,1-5,8,12H2
InChIKeyMZRQGNNVIHNTMP-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine (CID 65333628) is 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine is NCCc1cnc(C2CCCOC2)nc1.
What is the InChIKey of 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is MZRQGNNVIHNTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-4-3-9-6-13-11(14-7-9)10-2-1-5-15-8-10/h6-7,10H,1-5,8,12H2.
What are the key properties of 2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine?
2-[2-(oxan-3-yl)pyrimidin-5-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-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 65333628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).