3-(Quinazolin-4-ylamino)propane-1,2-diol
Basic information
- CAS
5423-63-2- Standard SMILES
OCC(O)CNc1ncnc2ccccc12- InChIKey
UZWXFNTWGDDBQM-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 3-(Quinazolin-4-ylamino)propane-1,2-diol
- IUPAC
- 3-(quinazolin-4-ylamino)propane-1,2-diol
Names & synonyms
3-(quinazolin-4-ylamino)propane-1,2-diol5423-63-2NSC132203-[(quinazolin-4-yl)amino]propane-1,2-diolNSC-13220CHEMBL1997196DTXSID40279571AKOS0155201453-(4-quinazolinylamino)-1,2-propanediolNCI60_000709
Database identifiers
- CAS
5423-63-2- PubChem CID
- 224591
- DTXSID
DTXSID40279571- ChEMBL
CHEMBL1997196
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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