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Chemical ID: 6480708

Chemical ID:

6480708

Name [?]:

4-(4-pyridyl)-5-quinoxalin-2-yl-pyrimidin-2-amine

SMILES [?]:

c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N

InChi [?]:

InChI=1/C17H12N6/c18-17-21-9-12(16(23-17)11-5-7-19-8-6-11)15-10-20-13-3-1-2-4-14(13)22-15/h1-10H,(H2,18,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,18,22,19,21,12,8,17,11,5,4,9,16,14,23,20,7,13,10,15/E:(5,6)(7,8)/rA:23nCCCCCCNCCNCCNCNCCCCNCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s19;d20;d17s21;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₂N₆
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71062
Area:	468.882
Solvation:	-3.01143
Coulombic:	-43.0865

Bond Count [?]

All:	26
Single:	15
Double:	11
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	300.318
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	1.87
LogP (Chemaxon):	1.84

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