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Basic information
- Standard SMILES
COc1ccc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cn1- InChIKey
OIPZJHZMJMKKBK-UHFFFAOYSA-N- Molecular formula
- C20H24N8O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.20222204
Names & identifiers
- Preferred name
- 4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
- IUPAC
- 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
Names & synonyms
CHEMBL2165010SCHEMBL114941OIPZJHZMJMKKBK-UHFFFAOYSA-NBDBM50394853US8772480, 444-(2-(6-methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
Database identifiers
- PubChem CID
- 49785083
- ChEMBL
CHEMBL2165010
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
Related reactions
3 records
Compound notes
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