chempirical

5-(2-Methoxyphenoxy)[2,2′-bipyrimidine]-4,6(1H,5H)-dione

C15H12N4O4CAS 150728-12-4312.29 g/mol

Open in Covalent MOL file
OOONNNHNO
EtherImine

Properties

Molecular formula
C15H12N4O4
Molar mass
312.29 g/mol
Exact mass
312.0859 Da
logP
1.18Crippen estimate
Polar surface area
106.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
150728-12-4
SMILES
COc1ccccc1OC1C(=O)N=C(c2ncccn2)N=C1O
InChIKey
ZJMPECSQUMNGPA-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N4O4/c1-22-9-5-2-3-6-10(9)23-11-14(20)18-13(19-15(11)21)12-16-7-4-8-17-12/h2-8,11H,1H3,(H,18,19,20,21)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • [2,2′-Bipyrimidine]-4,6(1H,5H)-dione, 5-(2-methoxyphenoxy)-
  • [2,2′-Bipyrimidine]-4,6(1H,5H)-dione, 5-(2-methoxyphenoxy)-, (±)-
  • 5-(2-Methoxyphenoxy)-2,2′-bipyrimidine-4,6-(1H,5H)-dione

Work with 5-(2-Methoxyphenoxy)[2,2′-bipyrimidine]-4,6(1H,5H)-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 2-(2-methoxyphenoxy)malonate150726-89-942 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-937 % similar O-Anisic acid579-75-934 % similar Guaiacol carbonate553-17-333 % similar 3-Methoxy-2(1H)-pyridinone20928-63-633 % similar 2-Methoxynicotinic acid16498-81-032 % similar 2-Methoxyphenylacetic acid93-25-432 % similar 2,6-Dimethoxybenzoic acid1466-76-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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