6-[(3,4-Dichlorophenyl)imino]-2-imino-1,2,3,6-tetrahydropyrimidin-4-amine
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Basic information
- CAS
6633-68-7- Standard SMILES
Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N)n1- InChIKey
WSFJSICRAQCIFB-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N5
- Average molar mass
- 270.12 g/mol
- Monoisotopic mass
- 269.0235007
Names & identifiers
- Preferred name
- 6-[(3,4-Dichlorophenyl)imino]-2-imino-1,2,3,6-tetrahydropyrimidin-4-amine
- IUPAC
- 4-N-(3,4-dichlorophenyl)pyrimidine-2,4,6-triamine
- English name
- N4-(3,4-dichlorophenyl)pyrimidine-2,4,6-triamine
- Molecular formula
- C10H9Cl2N5
- Molecular weight
- 270.12
Names & synonyms
NSC42137DTXSID40984936NSC-421376-[(3,4-Dichlorophenyl)imino]-2-imino-1,2,3,6-tetrahydropyrimidin-4-amineAKOS0193363092-(chloromethyl)pyridine 1-oxide, 95%N4-(3,4-dichlorophenyl)pyrimidine-2,4,6-triamine2,4,6-Pyrimidinetriamine, N4-(3,4-dichlorophenyl)-
Database identifiers
- CAS
6633-68-7- PubChem CID
- 238015
- DTXSID
DTXSID40984936
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 542 · 542.0±60.0 °C(Predicted)
- Density
- 1.585 · 1.585±0.06 g/cm3(Predicted)
- pka
- 6.06 · 6.06±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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