2-Chloro-4-(4-chlorophenyl)-6-cyclopropylpyrimidine

HCID 57468616

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc(-c2cc(C3CC3)nc(Cl)n2)cc1
InChIKey: MGVOWBLXJCYKPR-UHFFFAOYSA-N
Molecular formula: C13H10Cl2N2
Average molar mass: 265.13 g/mol

Names & identifiers

Preferred name: 2-Chloro-4-(4-chlorophenyl)-6-cyclopropylpyrimidine
IUPAC: 2-chloro-4-(4-chlorophenyl)-6-cyclopropylpyrimidine

Names & synonyms

2-chloro-4-(4-chlorophenyl)-6-cyclopropylpyrimidineSCHEMBL3563165MGVOWBLXJCYKPR-UHFFFAOYSA-NCS-369592-chloro-4-(4-chloro-phenyl)-6-cyclopropyl-pyrimidine951231-17-7

Database identifiers

PubChem CID: 57468616

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 262

Related reactions

6 records

New reaction record

HRID 120188As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1147732As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1927823As productuspto-grants-2012_05

HRID 1927874As reactantuspto-grants-2012_05

HRID 1989100As productuspto-grants-2010_01

HRID 1989151As reactantuspto-grants-2010_01

Compound notes

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