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2-Amino-4-chloromethyl-6-dimethylaminopyrimidine

HCID 20153502
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)c1cc(CCl)nc(N)n1
InChIKey
RENCKSAMZRZOOW-UHFFFAOYSA-N
Molecular formula
C7H11ClN4
Average molar mass
186.64 g/mol

Names & identifiers

Preferred name
2-Amino-4-chloromethyl-6-dimethylaminopyrimidine
IUPAC
6-(chloromethyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

Names & synonyms

SCHEMBL10618275RENCKSAMZRZOOW-UHFFFAOYSA-N2-amino-4-chloromethyl-6-dimethylaminopyrimidine

Database identifiers

PubChem CID
20153502

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
55 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
141

Related reactions

2 records
New reaction record
HRID 3910 reaction equation
HRID 3910As productuspto-grants-1988_02
HRID 2336844 reaction equation
HRID 2336844As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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