methyl 2,4,6-trichloropyrimidine-5-carboxylate

C6H3Cl3N2O2 — CID 13264362

IUPACmethyl 2,4,6-trichloropyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C6H3Cl3N2O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3
InChIKeyQQYFJQHMJIBLKL-UHFFFAOYSA-N
MW241.46 g/mol
LogP2.22
Rot. Bonds1

About methyl 2,4,6-trichloropyrimidine-5-carboxylate

methyl 2,4,6-trichloropyrimidine-5-carboxylate (PubChem CID 13264362) has the molecular formula C6H3Cl3N2O2 and a molecular weight of 241.46 g/mol. Its IUPAC name is methyl 2,4,6-trichloropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4,6-trichloropyrimidine-5-carboxylate
PubChem CID13264362
Molecular FormulaC6H3Cl3N2O2
Molecular Weight241.46 g/mol
Exact Mass239.93
IUPAC Namemethyl 2,4,6-trichloropyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C6H3Cl3N2O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3
InChIKeyQQYFJQHMJIBLKL-UHFFFAOYSA-N
XLogP2.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2,4,6-trichloropyrimidine-5-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 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate
CID 533817
Trichloropyrimidine-5-carboxylic acid
CID 20083957
Methyl 2,4-dichloropyrimidine-5-carboxylate
CID 23156323
Methyl 4,6-dichloropyrimidine-5-carboxylate
CID 24820741
4,6-Dichloro-2-methylpyrimidine-5-carboxylic acid
CID 58265017
Methyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate
CID 71304416
Methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
CID 130056470
Prop-2-ynyl 4,6-dichloropyrimidine-5-carboxylate
CID 12163361
But-3-ynyl 4,6-dichloropyrimidine-5-carboxylate
CID 12163362
Ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 18926906
Butyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 19094597
Methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 19094601

Frequently Asked Questions

What is the IUPAC name of methyl 2,4,6-trichloropyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4,6-trichloropyrimidine-5-carboxylate (CID 13264362) is methyl 2,4,6-trichloropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4,6-trichloropyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4,6-trichloropyrimidine-5-carboxylate is COC(=O)c1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of methyl 2,4,6-trichloropyrimidine-5-carboxylate?
The InChIKey is QQYFJQHMJIBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3.
What are the key properties of methyl 2,4,6-trichloropyrimidine-5-carboxylate?
methyl 2,4,6-trichloropyrimidine-5-carboxylate has a molecular weight of 241.46 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,6-trichloropyrimidine-5-carboxylate is sourced from PubChem (CID 13264362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).