Tert-butyl (3-((5-(1-hydroxyethyl)-2-(methylthio)pyrimidin-4-yl)amino)phenyl)carbamate

HCID 86732008
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1ncc(C(C)O)c(Nc2cccc(NC(=O)OC(C)(C)C)c2)n1
InChIKey
UTCJZORZWOEAPD-UHFFFAOYSA-N
Molecular formula
C18H24N4O3S
Average molar mass
376.5 g/mol
Monoisotopic mass
376.15691181

Names & identifiers

Preferred name
Tert-butyl (3-((5-(1-hydroxyethyl)-2-(methylthio)pyrimidin-4-yl)amino)phenyl)carbamate
IUPAC
tert-butyl N-[3-[[5-(1-hydroxyethyl)-2-methylsulfanylpyrimidin-4-yl]amino]phenyl]carbamate

Names & synonyms

SCHEMBL16001209SCHEMBL29537780UTCJZORZWOEAPD-UHFFFAOYSA-Ntert-butyl (3-((5-(1-hydroxyethyl)-2-(methylthio)pyrimidin-4-yl)amino)phenyl)carbamate

Database identifiers

PubChem CID
86732008

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

Loading…