N2,N4-bis(3-amino-4-methylphenyl)-5-fluoro-2,4-pyrimidinediamine

HCID 22060880
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Basic information

Standard SMILES
Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)c3)n2)cc1N
InChIKey
MEKSTNZFURDVRN-UHFFFAOYSA-N
Molecular formula
C18H19FN6
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
N2,N4-bis(3-amino-4-methylphenyl)-5-fluoro-2,4-pyrimidinediamine
IUPAC
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine

Names & synonyms

SCHEMBL655962MEKSTNZFURDVRN-UHFFFAOYSA-NN2,N4-bis(3-amino-4-methylphenyl)-5-fluoro-2,4-pyrimidinediamine

Database identifiers

PubChem CID
22060880

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
102 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

Related reactions

24 records
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Linked notes

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