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

HCID 86732010
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Basic information

Standard SMILES
CSc1ncc(C(C)=O)c(Nc2cccc(NC(=O)OC(C)(C)C)c2)n1
InChIKey
ICKIRKCXROWJLM-UHFFFAOYSA-N
Molecular formula
C18H22N4O3S
Average molar mass
374.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL16001204SCHEMBL29537763ICKIRKCXROWJLM-UHFFFAOYSA-NDB-3743431,1-Dimethylethyl N-[3-[[5-acetyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl]carbamatetert-butyl (3-((5-acetyl-2-(methylthio)pyrimidin-4-yl)amino)phenyl)carbamate1584151-18-7

Database identifiers

PubChem CID
86732010

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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