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Chemical ID: 5071077
Chemical ID:
5071077
Name [?]:
5-(m-tolylamino)pyrimidine-2,4-diol
SMILES [?]:
Cc1cccc(c1)Nc2cnc(nc2O)O
InChi [?]:
InChI=1/C11H11N3O2/c1-7-3-2-4-8(5-7)13-9-6-12-11(16)14-10(9)15/h2-6,13H,1H3,(H2,12,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,10,2,6,9,14,12,11,8,13,15,16/rA:16nCCCCCCCNCCNCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98621 |
Area: | 390.229 |
Solvation: | -2.76951 |
Coulombic: | -57.842 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 217.224 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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