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2-Amino-4-pyrimidinecarbonitrile

2-Amino-4-pyrimidinecarbonitrile structure

CAS No:
36314-98-4
Formula:
C5H4N4
Chemical Name:
2-Amino-4-pyrimidinecarbonitrile
Synonyms:
4-Pyrimidinecarbonitrile,2-amino-;2-Amino-4-pyrimidinecarbonitrile;2-Aminopyrimidine-4-carbonitrile;2-Amino-4-cyanopyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Amino-4-pyrimidinecarbonitrile Basic Attributes

Molecular Weight：

120.11206

Exact Mass：

120.11

DSSTox ID：

DTXSID80587384

HScode：

2933599090

Characteristics

PSA：

75.6

XLogP3：

-0.1

Density：

1.3±0.1 g/cm3

Melting Point：

222 °C (decomp)

Flash Point：

188.4±25.7 °C

Refractive Index：

1.600

Safety Information

Hazard category：

IRRITANT

2-Amino-4-pyrimidinecarbonitrile Use and Manufacturing

A flask containing a solution of 55-iodide (4.09g, 18.5mmol) in NMP (75ml) was purged with argon for 5min. Zinc cyanide (2.28g, 19.4mmol) and tetrakis(triphenylphosphine)palladium (0) (1.71g, 1.48mmol) were added and the mixture was stirred at 80°C for 2h. The mixture was cooled to room temperature, EtOAc (200ml) and 30percent aqueous NHA flask containing a solution of 55-iodide (4.09g, 18.5mmol) in NMP (75ml) was purged with argon for 5min. Zinc cyanide (2.28g, 19.4mmol) and tetrakis(triphenylphosphine)palladium (0) (1.71g, 1.48mmol) were added and the mixture was stirred at 80°C for 2h. The mixture was cooled to room temperature, EtOAc (200ml) and 30percent aqueous NH

Computed Properties

Molecular Weight:120.11
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:120.043596145
Monoisotopic Mass:120.043596145
Topological Polar Surface Area:75.6
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Pyrimidinecarbonitrile, 2-amino- (9ci)

CAS No.: 36314-98-4

Content: 99.00%

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Guide of 2-Amino-4-pyrimidinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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2-Amino-4-pyrimidinecarbonitrile

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