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4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile

4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile structure

CAS No:
748775-86-2
Formula:
C15H14N4O4
Chemical Name:
4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile
Synonyms:
MLS001006090;CHEMBL1432350;HMS2720P23;ZINC3258705;AKOS002507433;MCULE-7246570459;SMR000349091;SR-01000035477;SR-01000035477-1;Z19740151;4-[2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethoxy]benzonitrile;748775-86-2

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4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile Basic Attributes

Molecular Weight：

314.30 g/mol

Exact Mass：

314.10150494 g/mol

Characteristics

PSA：

117 Å²

Water Solubility：

9.4 [ug/mL]

Computed Properties

Molecular Weight:314.30
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:314.10150494
Monoisotopic Mass:314.10150494
Topological Polar Surface Area:117
Heavy Atom Count:23
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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