6-Chloro-N4-(2-Methoxy-ethyl)-pyriMidine-4,5-diaMine
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Basic information
- CAS
408509-79-5- Standard SMILES
COCCNc1ncnc(Cl)c1N- InChIKey
JKYUHKIGRHCHRD-UHFFFAOYSA-N- Molecular formula
- C7H11ClN4O
- Average molar mass
- 202.64 g/mol
- Monoisotopic mass
- 202.0621387
Names & identifiers
- Preferred name
- 6-Chloro-N4-(2-Methoxy-ethyl)-pyriMidine-4,5-diaMine
- IUPAC
- 6-chloro-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
- English name
- 6-Chloro-N4-(2-Methoxy-ethyl)-pyriMidine-4,5-diaMine
- Molecular formula
- C7H11ClN4O
- Molecular weight
- 202.64
Names & synonyms
6-Chloro-N4-(2-Methoxy-ethyl)-pyriMidine-4,5-diaMine408509-79-5AKOS0026663486-chloro-n*4*-(2-methoxy-ethyl)-pyrimidine-4,5-diamine4,5-Pyrimidinediamine, 6-chloro-N4-(2-methoxyethyl)-
Database identifiers
- CAS
408509-79-5- PubChem CID
- 18801406
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 376.8 · 376.8±42.0 °C(Predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- 2.56 · 2.56±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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