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

C11H17N3O3 — CID 114775904

IUPAC4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1(C)CNCC(COc2cc(=O)[nH]cn2)O1
InChIInChI=1S/C11H17N3O3/c1-11(2)6-12-4-8(17-11)5-16-10-3-9(15)13-7-14-10/h3,7-8,12H,4-6H2,1-2H3,(H,13,14,15)
InChIKeyMYVJJACBGCEPRM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.08
Rot. Bonds3

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

4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114775904) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID114775904
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1(C)CNCC(COc2cc(=O)[nH]cn2)O1
InChIInChI=1S/C11H17N3O3/c1-11(2)6-12-4-8(17-11)5-16-10-3-9(15)13-7-14-10/h3,7-8,12H,4-6H2,1-2H3,(H,13,14,15)
InChIKeyMYVJJACBGCEPRM-UHFFFAOYSA-N
XLogP-0.08
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
5-amino-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635012
2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635388
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113632055
5-bromo-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113632070
2-methyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718848
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898

Frequently Asked Questions

What is the IUPAC name of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 114775904) is 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is CC1(C)CNCC(COc2cc(=O)[nH]cn2)O1.
What is the InChIKey of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is MYVJJACBGCEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2)6-12-4-8(17-11)5-16-10-3-9(15)13-7-14-10/h3,7-8,12H,4-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114775904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).