Basic information
- CAS
67026-77-1- Standard SMILES
CCC(C)(C)N=C(NC(N)=O)Nc1cccnc1- InChIKey
WBISBEQTZUMOHQ-UHFFFAOYSA-N- Molecular formula
- C12H19N5O
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.15896025
Names & identifiers
- Preferred name
- Urea, (((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-
- IUPAC
- [N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]urea
Names & synonyms
BRN 040605767026-77-1Urea, (((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-Urea, ((tert-pentylamino)(3-pyridylamino)methylene)(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)ureaDTXSID80217275RefChem:387058DTXCID80139766CHEMBL3278380N-[N'-(2-Methylbutan-2-yl)-N-(pyridin-3-yl)carbamimidoyl]urea
Database identifiers
- CAS
67026-77-1- PubChem CID
- 3050776
- DTXSID
DTXSID80217275- ChEMBL
CHEMBL3278380
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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