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Chemical ID: 5180215

Chemical ID:

5180215

Name [?]:

4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine

SMILES [?]:

Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C

InChi [?]:

InChI=1/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,18,17,3,2,4,13,11,6,9,15,16,7,5,12,14,10,8/E:(1,2)(5,6)(13,14)/rA:18nCCCCNCNSCNCNCNClNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s11;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₁ClN₆S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	9.6716
Area:	441.758
Solvation:	-1.37236
Coulombic:	-43.103

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	282.753
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	0.69
LogP (Chemaxon):	2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value