1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

C11H17N3O3 — CID 135295908

IUPAC1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC[C@@H]1CNCC(n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C11H17N3O3/c1-3-8-4-12-5-9(17-8)14-6-7(2)10(15)13-11(14)16/h6,8-9,12H,3-5H2,1-2H3,(H,13,15,16)/t8-,9?/m1/s1
InChIKeyNKQCHYFXCUEQTI-VEDVMXKPSA-N
MW239.27 g/mol
LogP-0.26
Rot. Bonds2

About 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 135295908) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID135295908
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC[C@@H]1CNCC(n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C11H17N3O3/c1-3-8-4-12-5-9(17-8)14-6-7(2)10(15)13-11(14)16/h6,8-9,12H,3-5H2,1-2H3,(H,13,15,16)/t8-,9?/m1/s1
InChIKeyNKQCHYFXCUEQTI-VEDVMXKPSA-N
XLogP-0.26
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-morpholinoethyl)acetamide
CID 45280787
Morpholino thymidine
CID 16662125
Methacrylamido-4-(2-aminoethyl)morpholine
CID 129855611
1-(6-Ethylmorpholin-2-yl)-5-methylpyrimidine-2,4-dione
CID 60070660
Prop-2-enyl 2-ethyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
CID 60070669
[2-Ethyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl] acetate
CID 60070700
1-[6-[(3-Hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 70648339
5-Ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione
CID 70795763
1-[6-(Hydroxymethyl)morpholin-2-yl]-5-methyl-pyrimidine-2,4-dione
CID 71023056
1-[6-(Aminomethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 71036899
1-[6-(Hydroperoxymethyl)-4-prop-2-ynylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 89215820

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 135295908) is 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione is CC[C@@H]1CNCC(n2cc(C)c(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is NKQCHYFXCUEQTI-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-8-4-12-5-9(17-8)14-6-7(2)10(15)13-11(14)16/h6,8-9,12H,3-5H2,1-2H3,(H,13,15,16)/t8-,9?/m1/s1.
What are the key properties of 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 135295908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).