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4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile

4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile structure

CAS No:
105365-76-2
Formula:
C14H12N4O
Chemical Name:
4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile
Synonyms:
Benzonitrile,4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]-;5H-Cyclopentapyrimidine,benzonitrile deriv.;4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile;4-(4-Cyanoanilino)-6,7-dihydro-7-hydroxy-5H-cyclopenta[d]pyrimidine;RS 8359;119670-32-5

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4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile Basic Attributes

Molecular Weight：

252.27

Exact Mass：

252.27

Characteristics

PSA：

81.8 Å²

Density：

1.39±0.1 g/cm3

Melting Point：

260-262 °C (decomp) @ Solvent: Ethanol

Boiling Point：

483.6±45.0 °C(Predicted)

PKA：

13.04±0.20

Safety Information

Hazard category：

IRRITANT

Drug Information

MeSH：

A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414) (See all compounds classified as Monoamine Oxidase Inhibitors.)

MeSH Entry Terms：

4-(4-cyanophenyl)amino-6,7-dihydro-7-hydroxy-5H-cyclopenta(d)pyrimidine

4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile Use and Manufacturing

This molecule acts as a selective and reversible inhibitor of MAO-A slloeing for potential application towards clinical depression and anxiety treatments.

Computed Properties

Molecular Weight:252.27
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:252.10111102
Monoisotopic Mass:252.10111102
Topological Polar Surface Area:81.8
Heavy Atom Count:19
Complexity:358
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

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