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Home Aminos 2,4(1H,3H)-Pyrimidinedione, 6-(octylamino)-

2,4(1H,3H)-Pyrimidinedione, 6-(octylamino)-

CAS No.:
83797-69-7
Catalog Number:
AG00G3QR
Molecular Formula:
C12H21N3O2
Molecular Weight:
239.3140
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$161
- +
250mg
95%
1 week
United States
$423
- +
1g
95%
1 week
United States
$999
- +
Product Description
Catalog Number:
AG00G3QR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(octylamino)-
CAS Number:
83797-69-7
Molecular Formula:
C12H21N3O2
Molecular Weight:
239.3140
MDL Number:
MFCD28900678
IUPAC Name:
6-(octylamino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
InChI Key:
PFSWASUQURIOOR-UHFFFAOYSA-N
SMILES:
CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.319g/mol
Monoisotopic Mass:
239.163g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Mutation analysis and molecular modeling for the investigation of ligand-binding modes of GPR84. Journal of biochemistry 20150501
International Union of Basic and Clinical Pharmacology. LXXXVIII. G protein-coupled receptor list: recommendations for new pairings with cognate ligands. Pharmacological reviews 20130701
Medium-chain fatty acid-sensing receptor, GPR84, is a proinflammatory receptor. The Journal of biological chemistry 20130412
Medium-chain fatty acids as ligands for orphan G protein-coupled receptor GPR84. The Journal of biological chemistry 20061110
Properties