Paxalisib
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine
Molecular Identity
Paxalisib
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine
PubChem CID: 57384863
2D Structure
Properties
C18H22N8O2
Molecular Formula
382.40
Molecular Weight
g/mol
382.1866
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
552
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)CIsomeric SMILES
SMILES: CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)CSynonyms(20)
1382979-44-3GDC-0084paxalisibGDC00842-Pyrimidinamine, 5-[8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6H-[1,4]oxazino[4,3-e]purin-2-yl]-5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amineP5DKZ70636RG 7666RG-7666G02441729G-024417292-Pyrimidinamine, 5-(8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6H-(1,4)oxazino(4,3-E)purin-2-yl)-5-(6,6-Dimethyl-4-(4-morpholinyl)-8,9-dihydro-6H-(1,4)oxazino(4,3-e)purin-2-yl)-2-pyrimidinamine5-(6,6-DIMETHYL-4-MORPHOLINO-8,9-DIHYDRO-6H-(1,4)OXAZINO(3,4-E)PURIN-2-YL)PYRIMIDIN-2-AMINE5-(6,6-dimethyl-4-(morpholin-4-yl)-6H,8H,9H-(1,4)oxazino(3,4-h)purin-2-yl)pyrimidin-2-amine
Data from PubChem (NCBI)
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