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Chemical ID: 5193219
Chemical ID:
5193219
Name [?]:
5-propylpyrimidine-2,4,6-triamine
SMILES [?]:
CCCc1c(nc(nc1N)N)N
InChi [?]:
InChI=1/C7H13N5/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3,(H6,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,9,7,12,10,11,6,8/E:(5,6)(8,9)(11,12)/rA:12nCCCCCNCNCNNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13N5 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97441 |
Area: | 335.442 |
Solvation: | -1.41165 |
Coulombic: | -61.0041 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 167.212 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 3 |
XLogP: | 0.72 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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