Chemical ID: 6658939

CCN(CC)c1ncc(c(n1)O)C(=O)OCC
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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