Chemical ID: 4908107

c1ccc(c(c1)C2=Nc3cncnc3NC2)N
Chemical ID:
4908107
Name [?]:
2-(7,8-dihydropteridin-6-yl)aniline
SMILES [?]:
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
InChi [?]:
InChI=1/C12H11N5/c13-9-4-2-1-3-8(9)10-6-15-12-11(17-10)5-14-7-16-12/h1-5,7H,6,13H2,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,16,12,5,4,7,9,14,17,11,15,13,8/rA:17nCCCCCCCNCCNCNCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.78981
Area:391.481
Solvation:-1.99722
Coulombic:-45.0711
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.249
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.25
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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