Molecules/3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid
3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid
3-[2-[3-[2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxypropoxy]phenyl]propanoic acid
Molecular Identity
3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid
3-[2-[3-[2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxypropoxy]phenyl]propanoic acid
PubChem CID: 171920655
2D Structure
Properties
C23H26N4O5
Molecular Formula
438.50
Molecular Weight
g/mol
438.1903
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
143
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
569
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC=CC(=C1)C2=C(C(=NC(=N2)N)N)OCCCOC3=CC=CC=C3CCC(=O)OIsomeric SMILES
SMILES: COC1=CC=CC(=C1)C2=C(C(=NC(=N2)N)N)OCCCOC3=CC=CC=C3CCC(=O)OSynonyms(3)
CHEMBL61487343-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acidDQI
Data from PubChem (NCBI)
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Molecular Structure
3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid
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Drug Network
Trials and conditions connected to 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid
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