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

C12H17N3O3S — CID 9144258

IUPAC2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(C(=O)CSc2nccc(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C12H17N3O3S/c1-8-5-15(6-9(2)18-8)11(17)7-19-12-13-4-3-10(16)14-12/h3-4,8-9H,5-7H2,1-2H3,(H,13,14,16)/t8-,9+
InChIKeyUQQNFMSCOVYSQA-DTORHVGOSA-N
MW283.35 g/mol
LogP0.50
Rot. Bonds3

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

2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 9144258) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID9144258
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(C(=O)CSc2nccc(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C12H17N3O3S/c1-8-5-15(6-9(2)18-8)11(17)7-19-12-13-4-3-10(16)14-12/h3-4,8-9H,5-7H2,1-2H3,(H,13,14,16)/t8-,9+
InChIKeyUQQNFMSCOVYSQA-DTORHVGOSA-N
XLogP0.50
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 9144258) is 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is C[C@@H]1CN(C(=O)CSc2nccc(=O)[nH]2)C[C@H](C)O1.
What is the InChIKey of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UQQNFMSCOVYSQA-DTORHVGOSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-5-15(6-9(2)18-8)11(17)7-19-12-13-4-3-10(16)14-12/h3-4,8-9H,5-7H2,1-2H3,(H,13,14,16)/t8-,9+.
What are the key properties of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 283.35 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 9144258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).