methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate

C11H16N2O5 — CID 15676624

IUPACmethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
SMILESCOC(=O)CC(C)Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H16N2O5/c1-7(5-10(14)17-4)18-11-12-8(15-2)6-9(13-11)16-3/h6-7H,5H2,1-4H3
InChIKeyDSOHVCIUKKIKSR-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.82
Rot. Bonds6

About methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate

methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate (PubChem CID 15676624) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
PubChem CID15676624
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
SMILESCOC(=O)CC(C)Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H16N2O5/c1-7(5-10(14)17-4)18-11-12-8(15-2)6-9(13-11)16-3/h6-7H,5H2,1-4H3
InChIKeyDSOHVCIUKKIKSR-UHFFFAOYSA-N
XLogP0.82
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
CID 11038187
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one
CID 160694361
2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 70661909
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbutanoyl]amino]propanoate
CID 4096292

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate?
The IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate (CID 15676624) is methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate.
What is the SMILES notation for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate?
The canonical SMILES for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate is COC(=O)CC(C)Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate?
The InChIKey is DSOHVCIUKKIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7(5-10(14)17-4)18-11-12-8(15-2)6-9(13-11)16-3/h6-7H,5H2,1-4H3.
What are the key properties of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate?
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate has a molecular weight of 256.26 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate is sourced from PubChem (CID 15676624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).