Chemical ID: 5254462

Cc1c(c(nc(n1)O)O)C#N
Chemical ID:
5254462
Name [?]:
2,4-dihydroxy-6-methyl-pyrimidine-5-carbonitrile
SMILES [?]:
Cc1c(c(nc(n1)O)O)C#N
InChi [?]:
InChI=1/C6H5N3O2/c1-3-4(2-7)5(10)9-6(11)8-3/h1H3,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,2,3,4,6,11,7,5,9,8/rA:11nCCCCNCNOOCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;s3;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.62758
Area:302.43
Solvation:-2.93317
Coulombic:-47.1805
Bond Count [?]
All:11
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.123
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.84
LogP (Chemaxon):0.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue