Molecules/5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-(tetrahydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-(tetrahydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
5-chloro-2-N-[5-methyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
Molecular Identity
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-(tetrahydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
5-chloro-2-N-[5-methyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID: 138678712
2D Structure
Properties
C33H42ClN5O4S
Molecular Formula
640.20
Molecular Weight
g/mol
639.2646
Exact Mass
Da
6.9
XLogP
Above Lipinski threshold
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
1050
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1C2=CCN(CC2)C3CCOCC3)OC(C)C)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)ClIsomeric SMILES
SMILES: CC1=CC(=C(C=C1C2=CCN(CC2)C3CCOCC3)OC(C)C)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)ClSynonyms(20)
APG-24492196186-84-0APG24498L976E3N4NApg 2449UNII-8L976E3N4N5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-(tetrahydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamineAPG-2449 [WHO-DD]2,4-Pyrimidinediamine, 5-chloro-N4-(2-((1-methylethyl)sulfonyl)phenyl)-N2-(5-methyl-2-(1-methylethoxy)-4-(1,2,3,6-tetrahydro-1-(tetrahydro-2H-pyran-4-yl)-4-pyridinyl)phenyl)-2,4-Pyrimidinediamine, 5-chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-[1,2,3,6-tetrahydro-1-(tetrahydro-2H-pyran-4-yl)-4-pyridinyl]phenyl]-orb1944276CHEMBL5095166SCHEMBL21050580SCHEMBL29478899SCHEMBL29562468
Data from PubChem (NCBI)
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Molecular Structure
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-(tetrahydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
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Drug Network
Trials and conditions connected to 5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-(tetrahydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
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