n4-Butyl-6-chloropyrimidine-4,5-diamine
Basic information
- CAS
41259-67-0- Standard SMILES
CCCCNc1ncnc(Cl)c1N- InChIKey
BJTOSXADXKQKEW-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4
- Average molar mass
- 200.67 g/mol
- Monoisotopic mass
- 200.0828741
Names & identifiers
- Preferred name
- n4-Butyl-6-chloropyrimidine-4,5-diamine
- IUPAC
- 4-N-butyl-6-chloropyrimidine-4,5-diamine
- English name
- N4-Butyl-6-chloro-pyrimidine-4,5-diamine
- Molecular formula
- C8H13ClN4
- Molecular weight
- 200.67
Names & synonyms
n4-butyl-6-chloropyrimidine-4,5-diamine41259-67-04-N-butyl-6-chloropyrimidine-4,5-diamineN4-Butyl-6-chloro-pyrimidine-4,5-diamineN~4~-butyl-6-chloropyrimidine-4,5-diamineNSC19203N'4'-Butyl-6-chloro-pyrimidine-4,5-diamineSCHEMBL14466445DTXSID50280956NSC 19203NSC-19203STK779375
Show more names
IFLAB-BB F2124-0087N4-Butyl-6-chloro-4,5-pyrimidinediamine4,5-Pyrimidinediamine, N4-butyl-6-chloro-(5-amino-6-chloro-pyrimidin-4-yl)-butyl-amine
AKOS001746741SB60282SDCCGSBI-0658358.P001(5-amino-6-chloropyrimidin-4-yl)butylamineST4113302CS-0327407Pyrimidine-5-amine, 4-butylamino, 6-chloro-F2124-0087
Database identifiers
- CAS
41259-67-0- PubChem CID
- 227571
- DTXSID
DTXSID50280956- Nikkaji
- J1.806.814A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 78 · 78-79 °C(Solv: heptane (142-82-5))
- Boiling point
- 128 °C · 128 °C(Press: 0.07-0.09 Torr)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.10(Predicted)
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Compound notes
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