2-(N-(2-bromo-4-(2-propyl)phenyl)amino)-4-carbomethoxy-6-methylpyrimidine

HCID 18323720
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Basic information

Standard SMILES
COC(=O)c1cc(C)nc(Nc2ccc(C(C)C)cc2Br)n1
InChIKey
RVADGLMNXSPVRI-UHFFFAOYSA-N
Molecular formula
C16H18BrN3O2
Average molar mass
364.24 g/mol

Names & identifiers

Preferred name
2-(N-(2-bromo-4-(2-propyl)phenyl)amino)-4-carbomethoxy-6-methylpyrimidine
IUPAC
methyl 2-(2-bromo-4-propan-2-ylanilino)-6-methylpyrimidine-4-carboxylate

Names & synonyms

SCHEMBL7676334RVADGLMNXSPVRI-UHFFFAOYSA-N2-(N-(2-bromo-4-(2-propyl)phenyl)amino)-4-carbomethoxy-6-methylpyrimidine

Database identifiers

PubChem CID
18323720

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
64.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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