[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone

C13H19N3O2 — CID 72861818

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C13H19N3O2/c1-4-12-14-5-11(6-15-12)13(17)16-7-9(2)18-10(3)8-16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyGERAFFWVWPFVAJ-AOOOYVTPSA-N
MW249.31 g/mol
LogP1.29
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone (PubChem CID 72861818) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
PubChem CID72861818
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C13H19N3O2/c1-4-12-14-5-11(6-15-12)13(17)16-7-9(2)18-10(3)8-16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyGERAFFWVWPFVAJ-AOOOYVTPSA-N
XLogP1.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone (CID 72861818) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone is CCc1ncc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone?
The InChIKey is GERAFFWVWPFVAJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-12-14-5-11(6-15-12)13(17)16-7-9(2)18-10(3)8-16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72861818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).