6-chloro-2-(methylthio)-N-(prop-2-ynyl)pyrimidine-4-amine

HCID 90303691
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Basic information

Standard SMILES
C#CCNc1cc(Cl)nc(SC)n1
InChIKey
CREUZEYLFPXXOH-UHFFFAOYSA-N
Molecular formula
C8H8ClN3S
Average molar mass
213.69 g/mol

Names & identifiers

Preferred name
6-chloro-2-(methylthio)-N-(prop-2-ynyl)pyrimidine-4-amine
IUPAC
6-chloro-2-methylsulfanyl-N-prop-2-ynylpyrimidin-4-amine

Names & synonyms

SCHEMBL15903996CREUZEYLFPXXOH-UHFFFAOYSA-N6-chloro-2-(methylthio)-N-(prop-2-ynyl)pyrimidine-4-amine

Database identifiers

PubChem CID
90303691

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
63.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

Related reactions

2 records
New reaction record

Linked notes

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