methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate

C6H6ClN3O2 — CID 118989948

IUPACmethyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate
SMILESCOC(=O)c1nc(C)nc(Cl)n1
InChIInChI=1S/C6H6ClN3O2/c1-3-8-4(5(11)12-2)10-6(7)9-3/h1-2H3
InChIKeyLYNMGBXHQBSWFQ-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.62
Rot. Bonds1

About methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate

methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate (PubChem CID 118989948) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate
PubChem CID118989948
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Namemethyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate
SMILESCOC(=O)c1nc(C)nc(Cl)n1
InChIInChI=1S/C6H6ClN3O2/c1-3-8-4(5(11)12-2)10-6(7)9-3/h1-2H3
InChIKeyLYNMGBXHQBSWFQ-UHFFFAOYSA-N
XLogP0.62
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
6-methoxycarbonyl-1,3,5-triazine-2,4-dicarboxylic acid
CID 68537450
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
CID 10445251
methyl 4-chloro-6-propan-2-ylpyrimidine-2-carboxylate
CID 66288810
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284945
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate (CID 118989948) is methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate is COC(=O)c1nc(C)nc(Cl)n1.
What is the InChIKey of methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate?
The InChIKey is LYNMGBXHQBSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-3-8-4(5(11)12-2)10-6(7)9-3/h1-2H3.
What are the key properties of methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate?
methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate has a molecular weight of 187.59 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 118989948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).