Chemical ID: 7440332

Cc1cc(nc(n1)Cc2ccccc2)Nc3[nH]nnn3
Chemical ID:
7440332
Name [?]:
2-benzyl-6-methyl-N-(1H-tetrazol-5-yl)pyrimidin-4-amine
SMILES [?]:
Cc1cc(nc(n1)Cc2ccccc2)Nc3[nH]nnn3
InChi [?]:
InChI=1/C13H13N7/c1-9-7-11(16-13-17-19-20-18-13)15-12(14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,3,8,2,9,4,6,16,7,5,15,17,20,18,19/E:(3,4)(5,6)(17,18)(19,20)/rA:20nCCCCNCNCCCCCCCNCNNNN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s4;s15;s16;s17;d18;d16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N7
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.29637
Area:452.798
Solvation:-2.02357
Coulombic:-32.9884
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.289
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.51
LogP (Chemaxon):1.96

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Descriptor Annotations

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