1,5-Bis(6-methyl-4-pyrimidyl)carbazone
Basic information
- CAS
102430-61-5- Standard SMILES
Cc1cc(N=NC(=O)NNc2cc(C)ncn2)ncn1- InChIKey
UGBIWQMDBSYHKI-UHFFFAOYSA-N- Molecular formula
- C11H12N8O
- Average molar mass
- 272.27 g/mol
- Monoisotopic mass
- 272.11340704
Names & identifiers
- Preferred name
- 1,5-Bis(6-methyl-4-pyrimidyl)carbazone
- IUPAC
- 1-[(6-methylpyrimidin-4-yl)amino]-3-(6-methylpyrimidin-4-yl)iminourea
- English name
- 1,5-bis(6-methyl-4-pyrimidyl)carbazone
- Molecular weight
- 272.27
Names & synonyms
102430-61-51,5-Bis(6-methyl-4-pyrimidyl)carbazone1-[(6-methylpyrimidin-4-yl)amino]-3-(6-methylpyrimidin-4-yl)iminourea1,5-BmpcDiazenecarboxylic acid, 2-(6-methyl-4-pyrimidinyl)-, 2-(6-methyl-4-pyrimidinyl)hydrazide1,5-Bis(6-methylpyrimidin-4-yl)carbazone2-(6-Methylpyrimidin-4-yl)diazenecarboxylic acid N'-(6-methylpyrimidin-4-yl) hydrazide
Database identifiers
- CAS
102430-61-5- PubChem CID
- 128102
- Nikkaji
- J227.463I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Density
- 1.464 · 1.464±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.58 · 10.580±0.43(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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