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Chemical ID: 7510284

Chemical ID:

7510284

Name [?]:

2-methyl-5-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]pyrimidin-4-amine

SMILES [?]:

Cc1ncc(c(n1)N)CSc2nc(ns2)SC

InChi [?]:

InChI=1/C9H11N5S3/c1-5-11-3-6(7(10)12-5)4-16-9-13-8(15-2)14-17-9/h3H,4H2,1-2H3,(H2,10,11,12)

InChi Info:

AuxInfo=1/1/N:1,17,4,9,2,5,6,13,11,8,3,7,12,14,16,10,15/rA:17nCCNCCCNNCSCNCNSSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;s11s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₁N₅S₃
All Atoms:	28
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	9.5508
Area:	468.35
Solvation:	-2.15795
Coulombic:	-37.0907

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.95
LogP (Chemaxon):	None

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