4-(3-Chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-methylthiopyrimidine

HCID 17848321
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Basic information

Standard SMILES
COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(SC)nc1N1CCC(O)CC1
InChIKey
VRLACSXJGOLJFN-UHFFFAOYSA-N
Molecular formula
C20H25ClN4O4S
Average molar mass
453 g/mol

Names & identifiers

Preferred name
4-(3-Chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-methylthiopyrimidine
IUPAC
methyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxypiperidin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate

Names & synonyms

SCHEMBL4973880VRLACSXJGOLJFN-UHFFFAOYSA-N4-(3-chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-methylthiopyrimidine

Database identifiers

PubChem CID
17848321

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
122 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
30

Related reactions

6 records
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Compound notes

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