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Chemical ID: 6177347

Chemical ID:

6177347

Name [?]:

4,6-dimethoxy-5-phenyl-pyrimidin-2-amine

SMILES [?]:

COc1c(c(nc(n1)N)OC)c2ccccc2

InChi [?]:

InChI=1/C12H13N3O2/c1-16-10-9(8-6-4-3-5-7-8)11(17-2)15-12(13)14-10/h3-7H,1-2H3,(H2,13,14,15)

InChi Info:

AuxInfo=1/1/N:1,11,15,14,16,13,17,12,4,3,5,7,9,8,6,2,10/E:(1,2)(4,5)(6,7)(10,11)(14,15)(16,17)/rA:17nCOCCCNCNNOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s5;s10;s4;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃N₃O₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.60366
Area:	406.8
Solvation:	-2.56634
Coulombic:	-46.9906

Bond Count [?]

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

Chemical Properties

Molecular Weight:	231.251
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.87
LogP (Chemaxon):	2.39

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