Molecular Identity
Deethylatrazine
6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID: 22563
Des-ethyl atrazine (DEA) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).
2D Structure
Properties
C6H10ClN5
Molecular Formula
187.63
Molecular Weight
g/mol
187.0625
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
76.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
142
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NC1=NC(=NC(=N1)N)ClIsomeric SMILES
SMILES: CC(C)NC1=NC(=NC(=N1)N)ClSynonyms(20)
Deethylatrazine6190-65-4DESETHYL ATRAZINEDeethylatrazin2-Chloro-4-amino-6-(isopropylamino)-s-triazine2-Chloro-4-isopropylamino-6-amino-s-triazineDTXSID50374946-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine07PV14BK6Xs-Triazine, 2-amino-4-chloro-6-(isopropylamino)-2-chloro-4-amino-6-isopropylamino-s-triazine1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-2-amino-4-chloro-6-(isopropylamino)-s-triazineG 30033
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deethylatrazine
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