2-Amino-4-butylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

HCID 18507672
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Basic information

Standard SMILES
CCCCSc1nc(N)nc(-c2ccccc2)c1C#N
InChIKey
NWIUIPHIQQDDKH-UHFFFAOYSA-N
Molecular formula
C15H16N4S
Average molar mass
284.4 g/mol
Monoisotopic mass
284.1095677

Names & identifiers

Preferred name
2-Amino-4-butylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile
IUPAC
2-amino-4-butylsulfanyl-6-phenylpyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL6440806NWIUIPHIQQDDKH-UHFFFAOYSA-N2-Amino-4-butylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
18507672

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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