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Chemical ID: 5254462
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
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Experimental Annotations
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Descriptor Annotations
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