methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate

C12H13N3O3 — CID 163269595

IUPACmethyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2c(C)ncnc2OC)[nH]1
InChIInChI=1S/C12H13N3O3/c1-7-10(11(17-2)14-6-13-7)8-4-5-9(15-8)12(16)18-3/h4-6,15H,1-3H3
InChIKeyIKTWGFXGVJALTM-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.58
Rot. Bonds3

About methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate

methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate (PubChem CID 163269595) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate
PubChem CID163269595
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2c(C)ncnc2OC)[nH]1
InChIInChI=1S/C12H13N3O3/c1-7-10(11(17-2)14-6-13-7)8-4-5-9(15-8)12(16)18-3/h4-6,15H,1-3H3
InChIKeyIKTWGFXGVJALTM-UHFFFAOYSA-N
XLogP1.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate (CID 163269595) is methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(-c2c(C)ncnc2OC)[nH]1.
What is the InChIKey of methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is IKTWGFXGVJALTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-10(11(17-2)14-6-13-7)8-4-5-9(15-8)12(16)18-3/h4-6,15H,1-3H3.
What are the key properties of methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate?
methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 163269595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).