Chemical ID: 5522615

CCCn1c(c(c(=O)[nH]c1=O)NCC2CCCCC2)N
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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Descriptor Annotations

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