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2-PYRIMIDINEMETHANAMINE

2-PYRIMIDINEMETHANAMINE structure

CAS No:
75985-45-4
Formula:
C5H7N3
Chemical Name:
2-PYRIMIDINEMETHANAMINE
Synonyms:
pyrimidin-2-ylmethanamine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white powder

2-PYRIMIDINEMETHANAMINE Basic Attributes

Molecular Weight：

109.13

Exact Mass：

109.063995

DSSTox ID：

DTXSID20405311

HScode：

2933599090

Characteristics

PSA：

51.8

XLogP3：

-0.9

Density：

1.1±0.1 g/cm3

Boiling Point：

179.9°C at 760 mmHg

Flash Point：

83.7±9.8 °C

Refractive Index：

1.558

Safety Information

safety instructions：

Marks：

2-PYRIMIDINEMETHANAMINE Use and Manufacturing

Pyrimidin-2-ylmethanamine (24):To a stirred solution of pyrimidine-2-carbonitrile (10) (0.2 g, 0.9 mmol) in EtOH (1 mL), 10percent Pd/C (20 mg) was added under NTo a stirring solution of 2-cyanopyrimidine (2.0 g, 19.0 mmol) in methanol (50 mL) were added 10percentPd/C (300 mg), 12 N HCI (1.5 mL) under 2 atmosphere. The reaction mixture was stirred under atmosphere (balloon pressure) at RT for 3 h. After consumption of the starting material (by TLC), the reaction mixture was filtered through a pad of celite and the pad was washed with methanol. Obtained filtrate was concentrated under reduced pressure to afford crude compound which was triturated with diethyl ether to obtained compound 2S-Y (1.2 g, 44percent) as white solid. 1H-NMR: (500 MHz, DMSO-i): δ 8.87 (d, J= 5.0 Hz, 2H), 8.69 (br s, 2H), 7.52 (t, J= 5.0 Hz, 1H), 4.24 (s, 2H); Mass (ESI): 1 10.3 [M

Computed Properties

Molecular Weight:109.13
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:109.063997236
Monoisotopic Mass:109.063997236
Topological Polar Surface Area:51.8
Heavy Atom Count:8
Complexity:58.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 75985-45-4

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2-PYRIMIDINEMETHANAMINE

CAS No.: 75985-45-4

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Content: 98%

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