methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate

C14H16N2O3 — CID 116901354

IUPACmethyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
SMILESCOC(=O)C(C)(C)c1nccc(-c2ccc(C)o2)n1
InChIInChI=1S/C14H16N2O3/c1-9-5-6-11(19-9)10-7-8-15-12(16-10)14(2,3)13(17)18-4/h5-8H,1-4H3
InChIKeyQESNWALGARWZFP-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.50
Rot. Bonds3

About methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate

methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate (PubChem CID 116901354) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
PubChem CID116901354
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
SMILESCOC(=O)C(C)(C)c1nccc(-c2ccc(C)o2)n1
InChIInChI=1S/C14H16N2O3/c1-9-5-6-11(19-9)10-7-8-15-12(16-10)14(2,3)13(17)18-4/h5-8H,1-4H3
InChIKeyQESNWALGARWZFP-UHFFFAOYSA-N
XLogP2.50
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate (CID 116901354) is methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate is COC(=O)C(C)(C)c1nccc(-c2ccc(C)o2)n1.
What is the InChIKey of methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate?
The InChIKey is QESNWALGARWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-5-6-11(19-9)10-7-8-15-12(16-10)14(2,3)13(17)18-4/h5-8H,1-4H3.
What are the key properties of methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate?
methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate has a molecular weight of 260.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate is sourced from PubChem (CID 116901354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).