4-Chloro-2-diisopropylaminomethyleneamino-5-phenylethynylpyrimidine

HCID 73446452
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Basic information

Standard SMILES
CC(C)N(C=Nc1ncc(C#Cc2ccccc2)c(Cl)n1)C(C)C
InChIKey
MMKZENNFNXVKBA-UHFFFAOYSA-N
Molecular formula
C19H21ClN4
Average molar mass
340.8 g/mol
Monoisotopic mass
340.1454744

Names & identifiers

Preferred name
4-Chloro-2-diisopropylaminomethyleneamino-5-phenylethynylpyrimidine
IUPAC
N'-[4-chloro-5-(2-phenylethynyl)pyrimidin-2-yl]-N,N-di(propan-2-yl)methanimidamide

Names & synonyms

SCHEMBL3254024SCHEMBL3254025MMKZENNFNXVKBA-UHFFFAOYSA-N4-chloro-2-diisopropylaminomethyleneamino-5-phenylethynylpyrimidine

Database identifiers

PubChem CID
73446452

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
41.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

Related reactions

3 records
New reaction record

Linked notes

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