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Chemical ID: 3968240
Chemical ID:
3968240
Name [?]:
5-ethyl-5-phenyl-hexahydropyrimidine-4,6-dione
SMILES [?]:
CCC1(C(=O)NCNC1=O)c2ccccc2
InChi [?]:
InChI=1/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,7,11,4,9,3,6,8,5,10/E:(4,5)(6,7)(10,11)(13,14)(15,16)/gE:(1,2)/rA:16nCCCCONCNCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;d9;s3;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.59263 |
Area: | 369.404 |
Solvation: | -2.64246 |
Coulombic: | -43.326 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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