Basic information
- Standard SMILES
COc1ccc(Nc2nc(N3CCCCC3)ncc2-c2nc(C)nc(N)n2)cn1- InChIKey
RQKOZPWHBCBVFJ-UHFFFAOYSA-N- Molecular formula
- C19H23N9O
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-(6-Methoxypyridin-3-ylamino)-2-(piperidin-1-yl)pyrimidin-5-yl)-6-methyl-1,3,5-triazin-2-amine
- IUPAC
- 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-piperidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine
Names & synonyms
SCHEMBL114366CHEMBL3646463RQKOZPWHBCBVFJ-UHFFFAOYSA-NBDBM125305DB-138096US8772480, 1231253570-66-94-(4-(6-methoxypyridin-3-ylamino)-2-(piperidin-1-yl)pyrimidin-5-yl)-6-methyl-1,3,5-triazin-2-amine4-[4-[(6-Methoxy-3-pyridinyl)amino]-2-(1-piperidinyl)-5-pyrimidinyl]-6-methyl-1,3,5-triazin-2-amine
Database identifiers
- PubChem CID
- 59548331
- ChEMBL
CHEMBL3646463
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 506
Related reactions
3 records
Compound notes
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