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6-chloro-2-N-[(2H7)propan-2-yl]-1,3,5-triazine-2,4-diamine
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ChemBase ID:
160213
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Molecular Formular:
C6H10ClN5
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Molecular Mass:
187.6301
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Monoisotopic Mass:
187.06247303
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SMILES and InChIs
SMILES:
c1(nc(nc(n1)N)NC(C)C)Cl
Canonical SMILES:
CC(Nc1nc(N)nc(n1)Cl)C
InChI:
InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKey:
DFWFIQKMSFGDCQ-UHFFFAOYSA-N
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Cite this record
CBID:160213 http://www.chembase.cn/molecule-160213.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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6-chloro-2-N-[(2H7)propan-2-yl]-1,3,5-triazine-2,4-diamine
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IUPAC Traditional name
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6-chloro-2-N-[(2H7)propan-2-yl]-1,3,5-triazine-2,4-diamine
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Synonyms
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Desethylatrazine-d7
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2-Amino-4-(isopropyl-d7-amino)-6-chloro-triazine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.58442
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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1.5358521
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LogD (pH = 7.4)
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1.5390487
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Log P
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1.5390896
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Molar Refractivity
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51.9738 cm3
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Polarizability
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17.545673 Å3
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Polar Surface Area
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76.72 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
Toronto Research Chemicals -
A611752
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Studies have shown compounds of this nature are of pharmacological interest. Also has been shown to inhibit the growth of plants. |
PATENTS
PATENTS
PubChem Patent
Google Patent