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Home Other Building Blocks 6,6-dimethyl-4-N-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine

6,6-dimethyl-4-N-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine

CAS No.:
304693-27-4
Catalog Number:
AG019IKF
Molecular Formula:
C12H17N5
Molecular Weight:
231.2969
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Product Description
Catalog Number:
AG019IKF
Chemical Name:
6,6-dimethyl-4-N-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CAS Number:
304693-27-4
Molecular Formula:
C12H17N5
Molecular Weight:
231.2969
MDL Number:
MFCD04618161
IUPAC Name:
4,4-dimethyl-2-N-(4-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
InChI:
InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
InChI Key:
YPGKBEFAUYJKSV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC1=NC(NC(=N1)N)(C)C
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.148g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.303g/mol
Monoisotopic Mass:
231.148g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis and in vitro evaluation of 2,4-diamino-1,3,5-triazine derivatives as neuronal voltage-gated sodium channel blockers. Bioorganic & medicinal chemistry letters 20091001
Properties