6104-30-9
C₆H₁₄N₄O₂·174.200 g/mol·CID 22478
IUPAC: [1-(carbamoylamino)-2-methylpropyl]urea
Also known as: Isobutylidene diurea, IBDU, 1,1'-Isobutylidenebisurea, Urea, N,N''-(2-methylpropylidene)bis-, Urea, 1,1'-isobutylidenedi- (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
174.200g/mol
Exact Mass
174.111676Da
Monoisotopic Mass
174.111676Da
XLogP
-0.8
Polar Surface Area
110.0Ų
Complexity
164
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 174.2 g/mol
MW ≤ 500
✓ -0.8
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12)
Isomers8 compounds with formula C₆H₁₄N₄O₂
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 6322 · 174.2 g/mol
2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 232 · 174.2 g/mol
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 71070 · 174.2 g/mol
(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate
CID 28782 · 174.2 g/mol
hexanedihydrazide
CID 66117 · 174.2 g/mol
3-(dimethylcarbamoylamino)-1,1-dimethylurea
CID 296132 · 174.2 g/mol
N-ethyl-N-[2-[ethyl(nitroso)amino]ethyl]nitrous amide
CID 23772 · 174.2 g/mol
2-amino-5-(diaminomethylideneazaniumyl)pentanoate
CID 5246487 · 174.2 g/mol