2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Information

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CAS Number

69205-79-4

Molecular Formula

C7H5N5O

Molecular Weight

164.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

>300 ºC

Density

1.87±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=C(C2=C(N1)N=C(NC2=O)N)C#N

InChI

InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)

InChIKey

FMKSMYDYKXQYRV-UHFFFAOYSA-N

LogP

0.14181999999999972

Topological Polar Surface Area

87.56 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

327

Synonyms & References

English

DB03074
PQ0
2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
NS00070137
7-DEAZA-7-CYANO-GUANINE
PD039210
A9166
Q27104544
CHEBI:45075
SY028931
DS-11773
BDBM50303507
MFCD13178502
SCHEMBL94358
DTXSID10332223
CS-W003845
7-Cyano-7-deazaguanine
2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2-amino-4,7-dihydro-4-oxo-
7-CN-7-deazaG
69205-79-4
AKOS028108667
preQ0
7-Cyano-7-carbaguanine
CHEMBL577120
FT-0746598
2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile
2-Amino-4-oxo-4 pound not7-dihydro-3H-pyrrolo[2 pound not3-d]pyrimidine-5-carbonitrile
BCP10625
preQ(0)

MDL Number

MFCD13178502

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4)?

2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4) is regulated under various guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a skin and eye irritant. Manufacturers and importers must comply with REACH registration and notification requirements, and EPA regulations for the handling and disposal of this chemical.

Are there alternatives to 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4) in synthesis?

There are alternative reagents such as 2-Amino-6-oxo-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile and other pyrimidine derivatives that can be used as alternatives in the synthesis of 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4). These alternatives can offer similar functionalities or can be used based on the specific requirements of the synthetic route.

What is the market or research trend for 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4)?

The market for 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4) is growing due to its potential use in the development of antiviral and anticancer drugs. Research trends include exploring its applications in medicinal chemistry and drug discovery. Market demand is expected to increase with the advancement of related research and the discovery of new applications.

How should waste containing 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4) be handled?

Waste containing 2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 69205-79-4) should be collected in appropriate containers, labeled as hazardous waste, and managed according to local regulations. Proper incineration or professional disposal by licensed waste treatment facilities is recommended. Ensure all safety precautions are taken, including protective clothing and proper ventilation, to minimize environmental and health risks.