5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
Basic information
- CAS
6103-38-4- Standard SMILES
Cc1ccc2oc(Nc3nc(C)c(C)c(C)n3)nc2c1- InChIKey
STPKWNFZSPUDJN-UHFFFAOYSA-N- Molecular formula
- C15H16N4O
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.13241115
Overview
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine is a benzoxazole.
Names & identifiers
- Preferred name
- 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
- IUPAC
- 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
Names & synonyms
5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine6103-38-4Cambridge id 6103384Oprea1_178725Oprea1_787771MLS000780311CHEMBL1445639DTXSID30976522CHEBI:120657HMS2784L23STL361418
Show more names
AKOS001621212361999-96-4SMR000420494EU-0073491SR-01000450434SR-01000450434-1Q272087885-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)benzo[d]oxazol-2-amine
Database identifiers
- CAS
6103-38-4- PubChem CID
- 788271
- DTXSID
DTXSID30976522- ChEMBL
CHEMBL1445639- ChEBI
CHEBI:120657
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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