6-Chloro-N4-isopropylpyrimidine-4,5-diamine
Basic information
- CAS
18202-82-9- Standard SMILES
CC(C)Nc1ncnc(Cl)c1N- InChIKey
LWHSQBMRCOGJRA-UHFFFAOYSA-N- Molecular formula
- C7H11ClN4
- Average molar mass
- 186.64 g/mol
- Monoisotopic mass
- 186.0672241
Names & identifiers
- Preferred name
- 6-Chloro-N4-isopropylpyrimidine-4,5-diamine
- IUPAC
- 6-chloro-4-N-propan-2-ylpyrimidine-4,5-diamine
- English name
- 6-chloro-N4-(1-methylethyl)pyrimidine-4,5-diamine
- Molecular formula
- C7H11ClN4
- Molecular weight
- 186.64
Names & synonyms
6-Chloro-N4-isopropylpyrimidine-4,5-diamine18202-82-96-chloro-4-N-propan-2-ylpyrimidine-4,5-diamine6-chloro-N4-(1-methylethyl)pyrimidine-4,5-diamine4,5-Pyrimidinediamine, 6-chloro-N4-(1-methylethyl)-SCHEMBL2480481DTXSID20428060LWHSQBMRCOGJRA-UHFFFAOYSA-NAKOS000320486SB557465-amino-6-chloro-4-isopropylaminopyrimidineCS-0361008
Show more names
AKOS A0602-06116-CHLORO-N4-(1-METHYLETHYL)-4,5-PYRIMIDINEDIAMINE
6-chloro-N4-isopropyl-pyrimidine-4,5-diamine6-chloro-4-N-(propan-2-yl)pyrimidine-4,5-diamine6-Chloro-N~4~-(propan-2-yl)pyrimidine-4,5-diamineF2124-0084
Database identifiers
- CAS
18202-82-9- PubChem CID
- 7147162
- DTXSID
DTXSID20428060- Nikkaji
- J1.806.816H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 332.4 · 332.4±42.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.69 · 2.69±0.10(Predicted)
Related reactions
3 records
Compound notes
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