Chemical ID: 4105394

Cc1ccc(c(c1)C)Oc2c(c(nc(n2)N)O)I
Chemical ID:
4105394
Name [?]:
2-amino-6-(2,4-dimethylphenoxy)-5-iodo-pyrimidin-4-ol
SMILES [?]:
Cc1ccc(c(c1)C)Oc2c(c(nc(n2)N)O)I
InChi [?]:
InChI=1/C12H12IN3O2/c1-6-3-4-8(7(2)5-6)18-11-9(13)10(17)15-12(14)16-11/h3-5H,1-2H3,(H3,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,7,2,6,5,11,12,10,14,18,16,13,15,17,9/rA:18nCCCCCCCCOCCCNCNNOI/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s14;s12;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12IN3O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.87811
Area:442.456
Solvation:-2.18328
Coulombic:-53.8862
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:357.147
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):4.28

Name Annotations

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Descriptor Annotations

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