Chemical ID: 5193845

c1ccc(cc1)COCc2cnc(nc2O)O
Chemical ID:
5193845
Name [?]:
5-(benzyloxymethyl)pyrimidine-2,4-diol
SMILES [?]:
c1ccc(cc1)COCc2cnc(nc2O)O
InChi [?]:
InChI=1/C12H12N2O3/c15-11-10(6-13-12(16)14-11)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,7,9,4,10,15,13,12,14,16,17,8/E:(2,3)(4,5)/rA:17nCCCCCCCOCCCNCNCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.65244
Area:425.388
Solvation:-3.98225
Coulombic:-54.698
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.235
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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