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Chemical ID: 4908107
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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