N'-[4-chloro-5-[[4-(cyanomethyl)phenyl]methyl]-6-methylpyrimidin-2-yl]-N,N-dimethylmethanimidamide

HCID 141240178
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Basic information

Standard SMILES
Cc1nc(/N=C/N(C)C)nc(Cl)c1Cc1ccc(CC#N)cc1
InChIKey
WRVXHRGQVNYHRY-RGVLZGJSSA-N
Molecular formula
C17H18ClN5
Average molar mass
327.8 g/mol

Names & identifiers

Preferred name
N'-[4-chloro-5-[[4-(cyanomethyl)phenyl]methyl]-6-methylpyrimidin-2-yl]-N,N-dimethylmethanimidamide
IUPAC
N'-[4-chloro-5-[[4-(cyanomethyl)phenyl]methyl]-6-methylpyrimidin-2-yl]-N,N-dimethylmethanimidamide

Database identifiers

PubChem CID
141240178

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
65.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23

Related reactions

1 records
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Linked notes

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