methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate

C13H20N2O2 — CID 116901342

IUPACmethyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nccc(C(C)(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-12(2,3)9-7-8-14-10(15-9)13(4,5)11(16)17-6/h7-8H,1-6H3
InChIKeyGCLROBRSWQLIJM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.22
Rot. Bonds2

About methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate

methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate (PubChem CID 116901342) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate
PubChem CID116901342
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nccc(C(C)(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-12(2,3)9-7-8-14-10(15-9)13(4,5)11(16)17-6/h7-8H,1-6H3
InChIKeyGCLROBRSWQLIJM-UHFFFAOYSA-N
XLogP2.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate (CID 116901342) is methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1nccc(C(C)(C)C)n1.
What is the InChIKey of methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate?
The InChIKey is GCLROBRSWQLIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-12(2,3)9-7-8-14-10(15-9)13(4,5)11(16)17-6/h7-8H,1-6H3.
What are the key properties of methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate?
methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate is sourced from PubChem (CID 116901342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).