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Chemical ID: 5522615
Chemical ID:
5522615
Name [?]:
6-amino-5-(cyclohexylmethylamino)-1-propyl-pyrimidine-2,4-dione
SMILES [?]:
CCCn1c(c(c(=O)[nH]c1=O)NCC2CCCCC2)N
InChi [?]:
InChI=1/C14H24N4O2/c1-2-8-18-12(15)11(13(19)17-14(18)20)16-9-10-6-4-3-5-7-10/h10,16H,2-9,15H2,1H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,19,3,13,14,6,5,7,10,20,12,9,4,8,11/E:(4,5)(6,7)/rA:20nCCCNCCCONCONCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s7;s4s9;d10;s6;s12;s13;s14;s15;s16;s17;s14s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N4O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0543 |
Area: | 475.437 |
Solvation: | -1.83165 |
Coulombic: | -68.8436 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.366 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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