2-Methyl-2-(4-quinazolinylamino)-1,3-propanediol
Basic information
- CAS
5429-59-4- Standard SMILES
CC(CO)(CO)Nc1ncnc2ccccc12- InChIKey
JSZKNJOFAULIQU-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Names & identifiers
- Preferred name
- 2-Methyl-2-(4-quinazolinylamino)-1,3-propanediol
- IUPAC
- 2-methyl-2-(quinazolin-4-ylamino)propane-1,3-diol
Names & synonyms
NSC141795429-59-4NSC-14179NCIStruc1_000533NCIStruc2_001205CHEMBL1399634DTXSID50279805NCI14179CCG-38007NCGC00013184AKOS019092454NCGC00013184-02
Show more names
NCGC00096305-01NCI60_0009192-methyl-2-(4-quinazolinylamino)-1,3-propanediol2-Methyl-2-[(quinazolin-4-yl)amino]propane-1,3-diol
Database identifiers
- CAS
5429-59-4- PubChem CID
- 225095
- DTXSID
DTXSID50279805- ChEMBL
CHEMBL1399634
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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