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Chemical ID: 6472852
Chemical ID:
6472852
Name [?]:
1-(2-methoxyphenyl)-5-methyl-hexahydropyrimidine-2,4-dione
SMILES [?]:
CC1CN(C(=O)NC1=O)c2ccccc2OC
InChi [?]:
InChI=1/C12H14N2O3/c1-8-7-14(12(16)13-11(8)15)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,12,13,11,14,3,2,10,15,8,5,7,4,9,6,16/rA:17cCCCNCONCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;d8;s4;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.16204 |
Area: | 399.531 |
Solvation: | -3.82623 |
Coulombic: | -45.0686 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.76 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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