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Chemical ID: 7256825
Chemical ID:
7256825
Name [?]:
6-amino-5-(1,5-dimethylhexylamino)-1-propyl-pyrimidine-2,4-dione
SMILES [?]:
CCCn1c(c(c(=O)[nH]c1=O)NC(C)CCCC(C)C)N
InChi [?]:
InChI=1/C15H28N4O2/c1-5-9-19-13(16)12(14(20)18-15(19)21)17-11(4)8-6-7-10(2)3/h10-11,17H,5-9,16H2,1-4H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,14,2,16,17,15,3,18,13,6,5,7,10,21,12,9,4,8,11/E:(2,3)/rA:21cCCCNCCCONCONCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s7;s4s9;d10;s6;s12;s13;s13;s15;s16;s17;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N4O2 |
All Atoms: | 49 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1231 |
Area: | 518.331 |
Solvation: | -1.83519 |
Coulombic: | -69.3121 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.409 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.58 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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