ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate

C11H16N2O2 — CID 143018916

IUPACethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1ncc(C)cn1
InChIInChI=1S/C11H16N2O2/c1-5-15-10(14)11(3,4)9-12-6-8(2)7-13-9/h6-7H,5H2,1-4H3
InChIKeyYPLDEHWHJNYMOI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.63
Rot. Bonds3

About ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate

ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate (PubChem CID 143018916) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
PubChem CID143018916
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1ncc(C)cn1
InChIInChI=1S/C11H16N2O2/c1-5-15-10(14)11(3,4)9-12-6-8(2)7-13-9/h6-7H,5H2,1-4H3
InChIKeyYPLDEHWHJNYMOI-UHFFFAOYSA-N
XLogP1.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-pyrazin-2-ylpropanoate
CID 63967744
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
CID 10797568
ethyl 2-(5-chloropyrimidin-2-yl)-2-cyanopropanoate
CID 104572337
ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
CID 88573880
ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
CID 71742853
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl 2-(5-bromo-4-methylpyrimidin-2-yl)-2,2-difluoroacetate
CID 153323974
ethyl 2-methyl-2-(1H-pyrazol-5-yl)propanoate
CID 162439676
ethyl 2-(4-aminotriazol-2-yl)-2-methylpropanoate
CID 165480559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate (CID 143018916) is ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate is CCOC(=O)C(C)(C)c1ncc(C)cn1.
What is the InChIKey of ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate?
The InChIKey is YPLDEHWHJNYMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-15-10(14)11(3,4)9-12-6-8(2)7-13-9/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate?
ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate is sourced from PubChem (CID 143018916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).