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Chemical ID: 5494915
Chemical ID:
5494915
Name [?]:
4,6-dimethyl-2-phenyl-pyrimidine
SMILES [?]:
Cc1cc(nc(n1)c2ccccc2)C
InChi [?]:
InChI=1/C12H12N2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,11,10,12,9,13,3,2,4,8,6,7,5/E:(1,2)(4,5)(6,7)(9,10)(13,14)/rA:14nCCCCNCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79817 |
Area: | 364.758 |
Solvation: | -1.32077 |
Coulombic: | -12.0521 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 184.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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