2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine

C13H22N4O — CID 118497616

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(CN)N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C13H22N4O/c1-9-7-17(8-10(2)18-9)13(4-14)12-5-15-11(3)16-6-12/h5-6,9-10,13H,4,7-8,14H2,1-3H3/t9-,10+,13?
InChIKeyWPNADQXXWTVXLD-HWYHXSKPSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine (PubChem CID 118497616) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine
PubChem CID118497616
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(CN)N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C13H22N4O/c1-9-7-17(8-10(2)18-9)13(4-14)12-5-15-11(3)16-6-12/h5-6,9-10,13H,4,7-8,14H2,1-3H3/t9-,10+,13?
InChIKeyWPNADQXXWTVXLD-HWYHXSKPSA-N
XLogP0.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine (CID 118497616) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine is Cc1ncc(C(CN)N2C[C@@H](C)O[C@@H](C)C2)cn1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine?
The InChIKey is WPNADQXXWTVXLD-HWYHXSKPSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-7-17(8-10(2)18-9)13(4-14)12-5-15-11(3)16-6-12/h5-6,9-10,13H,4,7-8,14H2,1-3H3/t9-,10+,13?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine has a molecular weight of 250.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 118497616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).