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Chemical ID: 5681592
Chemical ID:
5681592
Name [?]:
N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethyl-1H-pyrimidin-2-imine
SMILES [?]:
Cc1cc(nc(=NC2=NCCN2)[nH]1)C
InChi [?]:
InChI=1/C9H13N5/c1-6-5-7(2)13-9(12-6)14-8-10-3-4-11-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,10,11,3,2,4,8,6,9,12,13,5,7/E:(1,2)(3,4)(6,7)(10,11)(12,13)/rA:14nCCCCNCNCNCCNNC/rB:s1;d2;s3;d4;s5;w6;s7;d8;s9;s10;s8s11;s2s6;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N5 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.42688 |
Area: | 359.727 |
Solvation: | -2.56629 |
Coulombic: | -39.1344 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.25 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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