898280-07-4
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
Molecular Identity
898280-07-4
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID: 59757974
2D Structure
Properties
C22H31N9O
Molecular Formula
437.50
Molecular Weight
g/mol
437.2652
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
598
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
898280-07-4XL228XL-228XL 228Exel-228033M2XSK0032,4-Pyrimidinediamine, N(sup 4)-(5-cyclopropyl-1H-pyrazol-3-yl)-N(sup 2)-((3-(1-methylethyl)-5-isoxazolyl)methyl)-6-(4-methyl-1-piperazinyl)-952306-27-3RefChem:902364Tyrosine Kinase Inhibitor XL2284-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamineN4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-((3-isopropylisoxazol-5-yl)methyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamineN4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-N2-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}pyrimidine-2,4-diamineUNII-33M2XSK003C22H31N9O
Data from PubChem (NCBI)
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