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Chemical ID: 6450102
Chemical ID:
6450102
Name [?]:
5-[(2,4-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-ol
SMILES [?]:
Cc1ccc(c(c1)C)Cc2c(nc(nc2O)C)C
InChi [?]:
InChI=1/C15H18N2O/c1-9-5-6-13(10(2)7-9)8-14-11(3)16-12(4)17-15(14)18/h5-7H,8H2,1-4H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,18,17,3,4,7,9,2,6,11,13,5,10,15,12,14,16/rA:18nCCCCCCCCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58983 |
Area: | 434.565 |
Solvation: | -2.27429 |
Coulombic: | -27.1246 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 242.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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