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Chemical ID: 6204602

Chemical ID:

6204602

Name [?]:

N-(2,4-dimethylphenyl)-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine

SMILES [?]:

Cc1ccc(c(c1)C)NC2=NC(=NC(N2)(C)C)N

InChi [?]:

InChI=1/C13H19N5/c1-8-5-6-10(9(2)7-8)15-12-16-11(14)17-13(3,4)18-12/h5-7H,1-4H3,(H4,14,15,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,8,16,17,3,4,7,2,6,5,12,10,14,18,9,11,13,15/E:(3,4)/rA:18nCCCCCCCCNCNCNCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;d12;s13;s10s14;s14;s14;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉N₅
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	9.16165
Area:	437.647
Solvation:	-1.77953
Coulombic:	-52.3111

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	245.324
H-Bond Donors:	4
H-Bond Acceptors:	5
XLogP:	1.95
LogP (Chemaxon):	3.93

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value