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Chemical ID: 6658939
Chemical ID:
6658939
Name [?]:
ethyl 2-diethylamino-4-hydroxy-pyrimidine-5-carboxylate
SMILES [?]:
CCN(CC)c1ncc(c(n1)O)C(=O)OCC
InChi [?]:
InChI=1/C11H17N3O3/c1-4-14(5-2)11-12-7-8(9(15)13-11)10(16)17-6-3/h7H,4-6H2,1-3H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,16,8,9,10,13,6,7,11,3,12,14,15/E:(1,2)(4,5)/rA:17nCCNCCCNCCCNOCOOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;d13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.16096 |
Area: | 439.034 |
Solvation: | -2.81488 |
Coulombic: | -53.8347 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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