methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate

C9H12N2O2 — CID 171833232

IUPACmethyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate
SMILESC=C1NC=NC(C)=C1CC(=O)OC
InChIInChI=1S/C9H12N2O2/c1-6-8(4-9(12)13-3)7(2)11-5-10-6/h5H,1,4H2,2-3H3,(H,10,11)
InChIKeyUTVFWXNYHJLTBJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.97
Rot. Bonds2

About methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate

methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate (PubChem CID 171833232) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate
PubChem CID171833232
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate
SMILESC=C1NC=NC(C)=C1CC(=O)OC
InChIInChI=1S/C9H12N2O2/c1-6-8(4-9(12)13-3)7(2)11-5-10-6/h5H,1,4H2,2-3H3,(H,10,11)
InChIKeyUTVFWXNYHJLTBJ-UHFFFAOYSA-N
XLogP0.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate 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-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate (CID 171833232) is methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate is C=C1NC=NC(C)=C1CC(=O)OC.
What is the InChIKey of methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate?
The InChIKey is UTVFWXNYHJLTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-8(4-9(12)13-3)7(2)11-5-10-6/h5H,1,4H2,2-3H3,(H,10,11).
What are the key properties of methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate?
methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate has a molecular weight of 180.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-methylidene-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 171833232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).