4-[6-(2,6-Dimethyl-pyridin-3-ylamino)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester

HCID 11524494
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Basic information

Standard SMILES
COc1c(Nc2ccc(C)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIKey
ZQPHUXOXAMLPRT-UHFFFAOYSA-N
Molecular formula
C21H29N5O4
Average molar mass
415.5 g/mol

Names & identifiers

Preferred name
4-[6-(2,6-Dimethyl-pyridin-3-ylamino)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester
IUPAC
propan-2-yl 4-[6-[(2,6-dimethyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate

Names & synonyms

SCHEMBL391428ZQPHUXOXAMLPRT-UHFFFAOYSA-N4-[6-(2,6-dimethyl-pyridin-3-ylamino)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester

Database identifiers

PubChem CID
11524494

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
98.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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