4,6-Dihydroxy-2-(4-methoxybenzylsulfanyl)pyrimidine

HCID 178491709CAS 86627-06-7
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Basic information

Standard SMILES
COc1ccc(CSc2nc(O)cc(O)n2)cc1
InChIKey
PHPWSDCJFLYKOE-UHFFFAOYSA-N
Molecular formula
C12H12N2O3S
Average molar mass
264.3 g/mol
Monoisotopic mass
264.05686342

Names & identifiers

Preferred name
4,6-Dihydroxy-2-(4-methoxybenzylsulfanyl)pyrimidine
IUPAC
4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one

Names & synonyms

86627-06-76-Hydroxy-2-((4-methoxybenzyl)thio)pyrimidin-4(1H)-oneSCHEMBL976594,6-dihydroxy-2-(4-methoxybenzylsulfanyl)pyrimidineDTXSID80442520PHPWSDCJFLYKOE-UHFFFAOYSA-N4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one2-p-methoxy-benzylthio-4,6-dihydroxypyrimidine6-Hydroxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}pyrimidin-4(3H)-one

Database identifiers

CAS
86627-06-7
PubChem CID
10611652

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
96.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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