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

C12H17N3O3 — CID 39878181

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESC[C@@H]1CN(C(=O)Cn2cccnc2=O)C[C@H](C)O1
InChIInChI=1S/C12H17N3O3/c1-9-6-15(7-10(2)18-9)11(16)8-14-5-3-4-13-12(14)17/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyDTQWOBVVNUXSMA-AOOOYVTPSA-N
MW251.29 g/mol
LogP-0.12
Rot. Bonds2

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

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 39878181) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID39878181
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESC[C@@H]1CN(C(=O)Cn2cccnc2=O)C[C@H](C)O1
InChIInChI=1S/C12H17N3O3/c1-9-6-15(7-10(2)18-9)11(16)8-14-5-3-4-13-12(14)17/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyDTQWOBVVNUXSMA-AOOOYVTPSA-N
XLogP-0.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (CID 39878181) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is C[C@@H]1CN(C(=O)Cn2cccnc2=O)C[C@H](C)O1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is DTQWOBVVNUXSMA-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-6-15(7-10(2)18-9)11(16)8-14-5-3-4-13-12(14)17/h3-5,9-10H,6-8H2,1-2H3/t9-,10+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 39878181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).