2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one

C13H21N3O2 — CID 176666065

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-5-11-6-12(17)15(4)13(14-11)16-7-9(2)18-10(3)8-16/h6,9-10H,5,7-8H2,1-4H3/t9-,10+
InChIKeyLUDDXMCKOSKDIX-AOOOYVTPSA-N
MW251.33 g/mol
LogP0.96
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one (PubChem CID 176666065) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one
PubChem CID176666065
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-5-11-6-12(17)15(4)13(14-11)16-7-9(2)18-10(3)8-16/h6,9-10H,5,7-8H2,1-4H3/t9-,10+
InChIKeyLUDDXMCKOSKDIX-AOOOYVTPSA-N
XLogP0.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one (CID 176666065) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one is CCc1cc(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one?
The InChIKey is LUDDXMCKOSKDIX-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-11-6-12(17)15(4)13(14-11)16-7-9(2)18-10(3)8-16/h6,9-10H,5,7-8H2,1-4H3/t9-,10+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 176666065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).