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4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile structure

CAS No:
269055-78-9
Formula:
C20H15ClN6O
Chemical Name:
4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
Synonyms:
Benzonitrile,4-[[5-amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-;4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

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4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile Basic Attributes

Molecular Weight：

390.8257

Exact Mass：

390.83

DSSTox ID：

DTXSID60747505

Characteristics

PSA：

121

XLogP3：

4.4

Density：

1.42±0.1 g/cm3(Predicted)

4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile Use and Manufacturing

Etravirine (E937000) impurity.

Computed Properties

Molecular Weight:390.8
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:390.0995868
Monoisotopic Mass:390.0995868
Topological Polar Surface Area:121
Heavy Atom Count:28
Complexity:609
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

4-[[5-Amino-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

SDS

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