methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate

C14H21N3O4 — CID 115973733

IUPACmethyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
SMILESCCOc1cc(C)nc(N2CCOC(CC(=O)OC)C2)n1
InChIInChI=1S/C14H21N3O4/c1-4-20-12-7-10(2)15-14(16-12)17-5-6-21-11(9-17)8-13(18)19-3/h7,11H,4-6,8-9H2,1-3H3
InChIKeyYLOGMVCVWQCVNC-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.95
Rot. Bonds5

About methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate

methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate (PubChem CID 115973733) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
PubChem CID115973733
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
SMILESCCOc1cc(C)nc(N2CCOC(CC(=O)OC)C2)n1
InChIInChI=1S/C14H21N3O4/c1-4-20-12-7-10(2)15-14(16-12)17-5-6-21-11(9-17)8-13(18)19-3/h7,11H,4-6,8-9H2,1-3H3
InChIKeyYLOGMVCVWQCVNC-UHFFFAOYSA-N
XLogP0.95
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate with MolForge

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Related Compounds

1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 112635773
[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
CID 112634676
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate
CID 114448691
methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
CID 115973720
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
CID 71977884
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66435962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate (CID 115973733) is methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate is CCOc1cc(C)nc(N2CCOC(CC(=O)OC)C2)n1.
What is the InChIKey of methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate?
The InChIKey is YLOGMVCVWQCVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-20-12-7-10(2)15-14(16-12)17-5-6-21-11(9-17)8-13(18)19-3/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate?
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 115973733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).