1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione

HCID 309331CAS 33443-58-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(=O)[nH]c(=O)n1Cc1ccccc1
InChIKey
LXRVJHIISSYWEJ-UHFFFAOYSA-N
Molecular formula
C12H12N2O2
Average molar mass
216.24 g/mol
Monoisotopic mass
216.08987763

Names & identifiers

Preferred name
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
IUPAC
1-benzyl-6-methylpyrimidine-2,4-dione
English name
1-benzyl-6-methyl-2,4(1H,3H)-pyrimidinedione(SALTDATA: FREE)
Molecular formula
C12H12N2O2
Molecular weight
216.24

Names & synonyms

33443-58-21-benzyl-6-methylpyrimidine-2,4(1H,3H)-dioneDTXSID303092752,4(1H,3H)-Pyrimidinedione, 6-methyl-1-(phenylmethyl)-RefChem:228137DTXCID60260401LXRVJHIISSYWEJ-UHFFFAOYSA-N1-benzyl-6-methyl-2,4(1H,3H)-pyrimidinedione1-benzyl-6-methylpyrimidine-2,4-dione1-benzyl-6-methyl-pyrimidine-2,4-dioneMFCD00452852NSC211600
Show more names
1-benzyl-6-methyl-2,4(1H,3H)-pyrimidinedione(SALTDATA: FREE)
Oprea1_662044Oprea1_875016MLS000624509SCHEMBL4480638CHEMBL1499680HMS2709J17STL374060AKOS000479766

Database identifiers

CAS
33443-58-2
PubChem CID
309331
DTXSID
DTXSID30309275
ChEMBL
CHEMBL1499680
Nikkaji
J3.627.406I

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

Solubility19.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
231 · 231-232 °C
Density
1.227 · 1.227±0.06 g/cm3(Predicted)
pka
9.73 · 9.73±0.40(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers2 total

深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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