Basic information
- CAS
31414-53-6- Standard SMILES
Cc1cc(NN=C(N)N)nc(N)n1- InChIKey
XFFUXCVIGORZOS-UHFFFAOYSA-N- Molecular formula
- C6H11N7
- Average molar mass
- 181.2 g/mol
- Monoisotopic mass
- 181.10759338
Names & identifiers
- Preferred name
- Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-
- IUPAC
- 2-[(2-amino-6-methylpyrimidin-4-yl)amino]guanidine
Names & synonyms
31414-53-6BRN 0189653GUANIDINE, ((2-AMINO-6-METHYL-4-PYRIMIDINYL)AMINO)-((2-Amino-6-methyl-4-pyrimidinyl)amino)guanidineDTXSID401853455-25-18-00072 (Beilstein Handbook Reference)RefChem:346681DTXCID501078362-(2-amino-6-methylpyrimidin-4-yl)hydrazinecarboximidamideN''-(2-Amino-6-methylpyrimidin-4-yl)carbonohydrazonic diamide
Database identifiers
- CAS
31414-53-6- PubChem CID
- 35798
- DTXSID
DTXSID40185345
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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