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

C13H21N3O2 — CID 137000927

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-14-11(5-12(17)15-13)16-6-9(3)18-10(4)7-16/h5,8-10H,6-7H2,1-4H3,(H,14,15,17)/t9-,10+
InChIKeyMKWKZKMURJJJMZ-AOOOYVTPSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds2

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

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137000927) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137000927
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-14-11(5-12(17)15-13)16-6-9(3)18-10(4)7-16/h5,8-10H,6-7H2,1-4H3,(H,14,15,17)/t9-,10+
InChIKeyMKWKZKMURJJJMZ-AOOOYVTPSA-N
XLogP1.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 137000927) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MKWKZKMURJJJMZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13-14-11(5-12(17)15-13)16-6-9(3)18-10(4)7-16/h5,8-10H,6-7H2,1-4H3,(H,14,15,17)/t9-,10+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137000927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).