2,4-Diamino-5-benzylpyrimidine
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Basic information
- CAS
7319-45-1- Standard SMILES
Nc1ncc(Cc2ccccc2)c(N)n1- InChIKey
XHPZVBGIPQQTQW-UHFFFAOYSA-N- Molecular formula
- C11H12N4
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.1061964
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,4-Diamino-5-benzylpyrimidine
- IUPAC
- 5-benzylpyrimidine-2,4-diamine
- English name
- 5-Benzyl-2,4-diaminopyrimidine
- Molecular formula
- C11H12N4
- Molecular weight
- 200.24
Names & synonyms
7319-45-12,4-Diamino-5-benzylpyrimidineDTXSID20223436RefChem:82247DTXCID201459275-Benzyl-2,4-diaminopyrimidine5-benzylpyrimidine-2,4-diamineCHEMBL2654932,4-Pyrimidinediamine, 5-(phenylmethyl)-SCHEMBL3807925-Benzyl-pyrimidine-2,4-diaminepyrimidine, 2,4-diamino-5-benzyl-
Show more names
5-Benzyl-2,4-pyrimidinediamineDiaveridine Didemethoxy Impurity5-(Phenylmethyl)pyrimidine-2,4-diamine
BDBM50391226MFCD09877845AKOS006341332SB59618PD119577Diaveridine Didemethoxy Impurity ; 100 MG
Database identifiers
- CAS
7319-45-1- PubChem CID
- 81752
- DTXSID
DTXSID20223436- ChEMBL
CHEMBL265493- Nikkaji
- J360.502G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
LogP1.54
Physicochemical properties
- Melting point
- 194 · 194-196 °C(Solv: ethanol (64-17-5))
- Boiling point
- 459.7 · 459.7±37.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 7.4 · 7.40±0.10(Predicted)
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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