4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O3 — CID 102634872

IUPAC4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2cc(=O)[nH]c(C(C)C)n2)O1
InChIInChI=1S/C13H21N3O3/c1-8(2)13-15-11(17)4-12(16-13)18-7-10-6-14-5-9(3)19-10/h4,8-10,14H,5-7H2,1-3H3,(H,15,16,17)
InChIKeyZJODGEBUDZNYAC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.65
Rot. Bonds4

About 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102634872) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102634872
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2cc(=O)[nH]c(C(C)C)n2)O1
InChIInChI=1S/C13H21N3O3/c1-8(2)13-15-11(17)4-12(16-13)18-7-10-6-14-5-9(3)19-10/h4,8-10,14H,5-7H2,1-3H3,(H,15,16,17)
InChIKeyZJODGEBUDZNYAC-UHFFFAOYSA-N
XLogP0.65
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241422
4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103491884
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
4-piperidin-4-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604861

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 102634872) is 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC1CNCC(COc2cc(=O)[nH]c(C(C)C)n2)O1.
What is the InChIKey of 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZJODGEBUDZNYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)13-15-11(17)4-12(16-13)18-7-10-6-14-5-9(3)19-10/h4,8-10,14H,5-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102634872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).