Chemical ID: 5071077

Cc1cccc(c1)Nc2cnc(nc2O)O
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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Descriptor Annotations

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