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Chemical ID: 4690668

Chemical ID:

4690668

Name [?]:

4-methyl-6-(p-tolylsulfonyl)pyrimidin-2-amine

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C

InChi [?]:

InChI=1/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)

InChi Info:

AuxInfo=1/1/N:1,18,3,7,4,6,12,2,13,5,11,15,17,14,16,9,10,8/E:(3,4)(5,6)(16,17)/CRV:18.6/rA:18nCCCCCCCSOOCCCNCNNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃N₃O₂S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71131
Area:	438.141
Solvation:	-2.24221
Coulombic:	-33.4213

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	263.317
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	1.46
LogP (Chemaxon):	1.97

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