2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one

C10H15N3O2 — CID 1404205

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nccc(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C10H15N3O2/c1-7-5-13(6-8(2)15-7)10-11-4-3-9(14)12-10/h3-4,7-8H,5-6H2,1-2H3,(H,11,12,14)/t7-,8+
InChIKeyZBZVHPHYBONFSD-OCAPTIKFSA-N
MW209.25 g/mol
LogP0.38
Rot. Bonds1

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 1404205) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID1404205
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nccc(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C10H15N3O2/c1-7-5-13(6-8(2)15-7)10-11-4-3-9(14)12-10/h3-4,7-8H,5-6H2,1-2H3,(H,11,12,14)/t7-,8+
InChIKeyZBZVHPHYBONFSD-OCAPTIKFSA-N
XLogP0.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 1404205) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one is C[C@@H]1CN(c2nccc(=O)[nH]2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is ZBZVHPHYBONFSD-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-13(6-8(2)15-7)10-11-4-3-9(14)12-10/h3-4,7-8H,5-6H2,1-2H3,(H,11,12,14)/t7-,8+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 1404205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).