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4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile structure

CAS No:
127945-89-5
Formula:
C12H15N5O2S
Chemical Name:
4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Synonyms:
4-amino-2-methyl-pyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile,4-amino-2-methyl; 4-Amino-2-methyl-5-pyrimidinecarbonitrile; 2-methyl-4-amino-5-cyano-pyrimidine; PYNITRILE; 4-Amino-5-cyano-2-methylpyrimidine; 4-Amino-2-methyl-pyrimidin-5-carbonitril; 4-amino-2-methyl-5-cyano-pyrimidine;Expand

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4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile Basic Attributes

Molecular Weight：

293.34500

Exact Mass：

293.09464591 g/mol

DSSTox ID：

DTXSID20155748

Characteristics

PSA：

146.28000

XLogP3：

0.93158

Density：

1.53g/cm3

Boiling Point：

663.8ºC at 760 mmHg

Flash Point：

355.3ºC

Refractive Index：

1.727

Vapor Pressure：

1.59E-18mmHg at 25°C

Computed Properties

Molecular Weight:293.35
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:293.09464591
Monoisotopic Mass:293.09464591
Topological Polar Surface Area:146
Heavy Atom Count:20
Complexity:376
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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