methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate

C11H16N2O4 — CID 71004606

IUPACmethyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
SMILESCOC(=O)C(C)c1nc(OC)nc(OC)c1C
InChIInChI=1S/C11H16N2O4/c1-6-8(7(2)10(14)16-4)12-11(17-5)13-9(6)15-3/h7H,1-5H3
InChIKeyZKDYZYLRLRMFTN-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.08
Rot. Bonds4

About methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate

methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate (PubChem CID 71004606) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
PubChem CID71004606
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
SMILESCOC(=O)C(C)c1nc(OC)nc(OC)c1C
InChIInChI=1S/C11H16N2O4/c1-6-8(7(2)10(14)16-4)12-11(17-5)13-9(6)15-3/h7H,1-5H3
InChIKeyZKDYZYLRLRMFTN-UHFFFAOYSA-N
XLogP1.08
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propanedioate
CID 177906351
[1-(2,6-Dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
CID 11701946
3-[4-Methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]propanoic acid
CID 105515046
3-[2-Amino-4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]propanoic acid
CID 105515400
2-[2-(Difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid
CID 166585285
2-[6-(Difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid
CID 166585542
2-(2,6-Dimethoxy-5-methylsulfanyl-pyrimidin-4-yl)-malonic acid dimethyl ester
CID 67295411
2-(2,6-Dimethoxy-5-methylsulfanylpyrimidin-4-yl)-3-ethoxy-3-oxopropanoic acid
CID 67295412
2-(6-Methoxy-2-methylpyrimidin-4-yl)propanoic acid
CID 126973200
Methyl 2-(2,6-dimethoxy-5-methylsulfanylpyrimidin-4-yl)propanoate
CID 132061859
Methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate
CID 139509934
Carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
CID 158952423

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
The IUPAC name of methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate (CID 71004606) is methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate.
What is the SMILES notation for methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
The canonical SMILES for methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate is COC(=O)C(C)c1nc(OC)nc(OC)c1C.
What is the InChIKey of methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
The InChIKey is ZKDYZYLRLRMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-8(7(2)10(14)16-4)12-11(17-5)13-9(6)15-3/h7H,1-5H3.
What are the key properties of methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate has a molecular weight of 240.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate is sourced from PubChem (CID 71004606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).