4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[3-(2-hydroxyethyl)phenyl]pyrimidine-2-amine

HCID 9908025
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Basic information

Standard SMILES
CC(C)(N)c1ccc(-c2nc(Nc3cccc(CCO)c3)ncc2Cl)cc1
InChIKey
UGBBXKNNWOMHIJ-UHFFFAOYSA-N
Molecular formula
C21H23ClN4O
Average molar mass
382.9 g/mol

Names & identifiers

Preferred name
4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[3-(2-hydroxyethyl)phenyl]pyrimidine-2-amine
IUPAC
2-[3-[[4-[4-(2-aminopropan-2-yl)phenyl]-5-chloropyrimidin-2-yl]amino]phenyl]ethanol

Names & synonyms

SCHEMBL6509283UGBBXKNNWOMHIJ-UHFFFAOYSA-N4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[3-(2-hydroxyethyl) phenyl]pyrimidine-2-amine4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[3-(2-hydroxyethyl)phenyl]pyrimidine-2-amine

Database identifiers

PubChem CID
9908025

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
84.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

1 records
New reaction record

Linked notes

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4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[3-(2-hydroxyethyl)phenyl]pyrimidine-2-amine (HCID 9908025)｜Huagongshe