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4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE

4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE structure

CAS No:
60025-09-4
Formula:
C5H3ClN4
Chemical Name:
4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE
Synonyms:
4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE;4-amino-6-chloro-pyrimidi...;4-Amino-6-chloro-5-cyanopyrimidine, 4-Amino-6-chloro-5-cyano-1,3-diazine;4-Amino-6-chloro-5-cyanopyrimidine;5-Pyrimidinecarbonitrile, 4-amino-6-chloro-;4-Amino-6-chloro-5-pyrimidinecarbonitrile;EOS-61673
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE Basic Attributes

Molecular Weight：

154.56

Exact Mass：

154.004623

DSSTox ID：

DTXSID20483831

HScode：

2933599090

Characteristics

PSA：

75.6

XLogP3：

1.1

Density：

1.5±0.1 g/cm3

Melting Point：

200℃ (DEC.)

Boiling Point：

402.4°C at 760 mmHg

Flash Point：

197.1±28.7 °C

Refractive Index：

1.621

4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE Use and Manufacturing

4, 6-Dichloropyrimidine-5-carbonitrile (4.8 g, 27.59 mols) was suspended in 30 mL dioxane and the mixture was cooled at 0°C in an ice bath. Ammonia solution (7N in methanol, 20 mL, 140 mmol) was added dropwise over 20 min. The mixture was stirred at 0°C for 30 min. The solvent was evaporated and the crude was re-dissolved in tetrahydrofuran. A precipite was formed and filtered and washed with more tetrahydrofuran. The organics were evaporated under reduced pressure. The residue was purifed using a SP1

Computed Properties

Molecular Weight:154.56
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:154.0046238
Monoisotopic Mass:154.0046238
Topological Polar Surface Area:75.6
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE

CAS No.: 60025-09-4

Content: 99.00%

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Guide of 4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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