methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate

C12H12N2O3 — CID 116895233

IUPACmethyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H12N2O3/c1-7-6-9(10-5-4-8(2)17-10)14-11(13-7)12(15)16-3/h4-6H,1-3H3
InChIKeyHDDZOLQHYFMRBF-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.14
Rot. Bonds2

About methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate

methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate (PubChem CID 116895233) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
PubChem CID116895233
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H12N2O3/c1-7-6-9(10-5-4-8(2)17-10)14-11(13-7)12(15)16-3/h4-6H,1-3H3
InChIKeyHDDZOLQHYFMRBF-UHFFFAOYSA-N
XLogP2.14
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate 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

4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
methyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
CID 4737236
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116897330
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
CID 116892451
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
CID 116894252
methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298999
2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate (CID 116895233) is methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(-c2ccc(C)o2)n1.
What is the InChIKey of methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate?
The InChIKey is HDDZOLQHYFMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-6-9(10-5-4-8(2)17-10)14-11(13-7)12(15)16-3/h4-6H,1-3H3.
What are the key properties of methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate is sourced from PubChem (CID 116895233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).