Chemical ID: 4958744

Cc1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
Chemical ID:
4958744
Name [?]:
6-(p-tolyl)pteridine-2,4,7-triamine
SMILES [?]:
Cc1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
InChi [?]:
InChI=1/C13H13N7/c1-6-2-4-7(5-3-6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,2,5,8,12,9,14,11,16,20,19,18,13,10,15,17/E:(2,3)(4,5)/rA:20nCCCCCCCCCNCCNCNCNNNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d8s12;d12;s14;d15;d11s16;s16;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N7
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.55962
Area:445.183
Solvation:-1.56996
Coulombic:-75.1666
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:267.289
H-Bond Donors:6
H-Bond Acceptors:3
XLogP:0.72
LogP (Chemaxon):1.83

Name Annotations

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Descriptor Annotations

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