6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
Basic information
- CAS
113458-38-1- Standard SMILES
CC(C)Oc1ccc(Cc2cnc(=S)[nH]c2N)cc1- InChIKey
GNLSHSUXUFNXEA-UHFFFAOYSA-N- Molecular formula
- C14H17N3OS
- Average molar mass
- 275.37 g/mol
- Monoisotopic mass
- 275.10923335
Names & identifiers
- Preferred name
- 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
- IUPAC
- 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
Names & synonyms
113458-38-16-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thioneOprea1_527739Oprea1_861132MLS000710246CHEMBL1442055DTXSID201333676HMS1671E17HMS2695K16STK843627AKOS000591050SMR000279032
Show more names
ST502662554-amino-5-(4-isopropoxybenzyl)pyrimidine-2-thiol4-amino-5-[4-(propan-2-yloxy)benzyl]pyrimidine-2-thiol4-amino-5-{[4-(methylethoxy)phenyl]methyl}pyrimidine-2-thiol6-Amino-5-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrimidine-2(1H)-thione
Database identifiers
- CAS
113458-38-1- PubChem CID
- 838899
- DTXSID
DTXSID201333676- ChEMBL
CHEMBL1442055
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility15.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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