Methyl (4-chloro-6-methylpyrimidin-5-yl)acetate

HCID 10954591

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Cc1c(C)ncnc1Cl
InChIKey: MNCPYMORIFRRHT-UHFFFAOYSA-N
Molecular formula: C8H9ClN2O2
Average molar mass: 200.62 g/mol

Names & identifiers

Preferred name: Methyl (4-chloro-6-methylpyrimidin-5-yl)acetate
IUPAC: methyl 2-(4-chloro-6-methylpyrimidin-5-yl)acetate

Names & synonyms

methyl 2-(4-chloro-6-methylpyrimidin-5-yl)acetatemethyl (4-chloro-6-methylpyrimidin-5-yl)acetate162498-46-6SCHEMBL7509440MNCPYMORIFRRHT-UHFFFAOYSA-NE88172methyl(4-chloro-6-methyl-5-pyrimidinyl)-acetate

Database identifiers

PubChem CID: 10954591

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 189

Related reactions

3 records

New reaction record

HRID 1458663As reactantuspto-grants-1998_12

HRID 1682537As productuspto-grants-1997_06

HRID 2400127As productuspto-grants-1995_09

Compound notes

Loading…