4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136825661

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2C[C@@H](C)O[C@@H](C)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-4-14(5-8(2)17-7)10-9(16-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)/t7-,8+
InChIKeyDUIXDEWZARYZEQ-OCAPTIKFSA-N
MW239.27 g/mol
LogP0.39
Rot. Bonds2

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136825661) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136825661
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2C[C@@H](C)O[C@@H](C)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-4-14(5-8(2)17-7)10-9(16-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)/t7-,8+
InChIKeyDUIXDEWZARYZEQ-OCAPTIKFSA-N
XLogP0.39
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136825661) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2C[C@@H](C)O[C@@H](C)C2)nc[nH]c1=O.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is DUIXDEWZARYZEQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-4-14(5-8(2)17-7)10-9(16-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)/t7-,8+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136825661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).