ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate

C13H15N3O2 — CID 143781465

IUPACethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc(C)n2)n(C)c1
InChIInChI=1S/C13H15N3O2/c1-4-18-13(17)10-7-12(16(3)8-10)11-5-6-14-9(2)15-11/h5-8H,4H2,1-3H3
InChIKeyDIOIDXUGBOMXJS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds3

About ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate

ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate (PubChem CID 143781465) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate
PubChem CID143781465
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc(C)n2)n(C)c1
InChIInChI=1S/C13H15N3O2/c1-4-18-13(17)10-7-12(16(3)8-10)11-5-6-14-9(2)15-11/h5-8H,4H2,1-3H3
InChIKeyDIOIDXUGBOMXJS-UHFFFAOYSA-N
XLogP1.97
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-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

ethyl 5-(2-aminopyrimidin-4-yl)-1-methylpyrrole-3-carboxylate
CID 66678407
ethyl 5-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylpyrrole-3-carboxylate
CID 66678298
ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
CID 102972483
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601
ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
CID 118564360
ethyl 4-(2-chloropyrimidin-4-yl)benzoate
CID 11065261
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl (2-methylpyrimidin-4-yl)sulfanylformate
CID 174893044
ethyl 1,7-dimethylindole-5-carboxylate
CID 137376085
ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 81498015
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate (CID 143781465) is ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccnc(C)n2)n(C)c1.
What is the InChIKey of ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate?
The InChIKey is DIOIDXUGBOMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-4-18-13(17)10-7-12(16(3)8-10)11-5-6-14-9(2)15-11/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate?
ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate is sourced from PubChem (CID 143781465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).