Basic information
- CAS
16018-49-8- Standard SMILES
Cc1cc(C)nc(N=C(N)Nc2ccccc2)n1- InChIKey
VPUNGERWGVXPEK-UHFFFAOYSA-N- Molecular formula
- C13H15N5
- Average molar mass
- 241.29 g/mol
- Monoisotopic mass
- 241.1327455
Names & identifiers
- Preferred name
- 1-(4,6-Dimethylpyrimidin-2-yl)-3-phenylguanidine
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)-1-phenylguanidine
- English name
- 1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
- Molecular formula
- C13H15N5
- Molecular weight
- 241.29
Names & synonyms
16018-49-82-(4,6-dimethylpyrimidin-2-yl)-1-phenylguanidine1-(4,6-dimethylpyrimidin-2-yl)-3-phenylguanidineN-(4,6-dimethylpyrimidin-2-yl)-N'-phenylguanidine1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidineN'-(4,6-DIMETHYLPYRIMIDIN-2-YL)-N-PHENYLGUANIDINESCHEMBL10498921SCHEMBL10498925SCHEMBL10498926DTXSID40166816ST50215628H32173
Show more names
-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-PHENYLGUANIDINEN-(4,6-Dimethyl-2-pyrimidinyl)-N'-phenylguanidineGuanidine, N-(4,6-dimethyl-2-pyrimidinyl)-N'-phenyl-
2-(4,6-dimethylpyrimidin-2-yl)-1-phenyl-guanidineN''-(4,6-Dimethylpyrimidin-2-yl)-N-phenylguanidine
Database identifiers
- CAS
16018-49-8- PubChem CID
- 27628
- DTXSID
DTXSID40166816
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 202 · 202-204 °C
- Boiling point
- 402.1 · 402.1±48.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 5.88 · 5.88±0.10(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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