Chemical ID: 5681592

Cc1cc(nc(=NC2=NCCN2)[nH]1)C
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

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