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Chemical ID: 5186965

Chemical ID:

5186965

Name [?]:

4-methoxy-N,N-dimethyl-6-(4-pyridyl)-1,3,5-triazin-2-amine

SMILES [?]:

CN(C)c1nc(nc(n1)OC)c2ccncc2

InChi [?]:

InChI=1/C11H13N5O/c1-16(2)10-13-9(14-11(15-10)17-3)8-4-6-12-7-5-8/h4-7H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,11,13,17,14,16,12,6,4,8,15,5,7,9,2,10/E:(1,2)(4,5)(6,7)/rA:17nCNCCNCNCNOCCCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s6;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃N₅O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.74842
Area:	416.097
Solvation:	-2.65401
Coulombic:	-40.0557

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	231.254
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	1.26
LogP (Chemaxon):	1.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value