Basic information
- CAS
4086-51-5- Standard SMILES
CCCCc1c(N)nc(N)nc1N- InChIKey
WEKKOIATWTXXBP-UHFFFAOYSA-N- Molecular formula
- C8H15N5
- Average molar mass
- 181.24 g/mol
- Monoisotopic mass
- 181.13274548
Names & identifiers
- Preferred name
- 5-Butylpyrimidine-2,4,6-triamine
- IUPAC
- 5-butylpyrimidine-2,4,6-triamine
- English name
- 5-butylpyrimidine-2,4,6-triamine
- Molecular formula
- C8H15N5
- Molecular weight
- 181.24
Names & synonyms
5-Butylpyrimidine-2,4,6-triamine4086-51-5NSC-2118165-Butyl-2,4,6-pyrimidinetriamine5-butyl-2,4,6-triaminopyrimidineEINECS 223-816-0NSC211816EE2R8B5QGFSCHEMBL29262764DTXSID30193833WEKKOIATWTXXBP-UHFFFAOYSA-N2,4,6-Pyrimidinetriamine, 5-butyl-
Show more names
NSC 211816Pyrimidine, 2,4,6-triamino-5-butyl-NS00030861
Database identifiers
- CAS
4086-51-5- PubChem CID
- 77706
- DTXSID
DTXSID30193833- UNII
- EE2R8B5QGF
- EC Number
- 223-816-0
- Nikkaji
- J224.885I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 199 °C · 199 °C
- Boiling point
- 462.9 · 462.9±55.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 6.95 · 6.95±0.10(Predicted)
- FDA UNII
- 2 R8B5QGF · EE2R8B5QGF
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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