5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one

Basic Information

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CAS Number

859826-41-8

Molecular Formula

C7H9N3O

Molecular Weight

151.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Density

1.51±0.1 g/cm3 (20 ºC 760 Torr)

SMILES

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C1CNCC2=C1C(=O)NC=N2

InChI

InChI=1S/C7H9N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h4,8H,1-3H2,(H,9,10,11)

InChIKey

DVHCRTQZUZFLAY-UHFFFAOYSA-N

LogP

-0.5843999999999998

Topological Polar Surface Area

57.78 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

254

Synonyms & References

English

5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE
EN300-132141
DVHCRTQZUZFLAY-UHFFFAOYSA-N
SCHEMBL17298716
F21479
859826-41-8
SCHEMBL4872148
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4 (3H)-one
3H,4H,5H,6H,7H,8H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE
A847071
AB49113
5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE
CS-D0072
PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE,5,6,7,8-TETRAHYDRO-
AKOS025149075
AKOS006347218
5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
5,6,7,8-tetrahydro-Pyrido[3,4-d]pyrimidin-4(3H)-one
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one hydrochloride
Pyrido[3,4-d]pyrimidin-4(3H)-one,5,6,7,8-tetrahydro-
5,6,7,8-Tetrahydropyrido<2,3-d>pyrimidine
5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-4-one

MDL Number

MFCD09025765

FAQ

What is 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8)?

5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8) is a heterocyclic organic compound with a pyrimidine ring fused to a pyridine ring. It is characterized by its aromaticity and contains nitrogen atoms in its structure. This compound has potential applications in pharmaceuticals and research due to its chemical structure and reactivity.

What are the main uses of 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8)?

5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8) is primarily used in the pharmaceutical industry for the development of potential therapeutic agents. It is also utilized in research settings for its structural characteristics and for its ability to interact with biological macromolecules.

Is 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8) safe?

5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8) is generally considered safe when handled properly. However, it is important to follow all safety guidelines, including wearing appropriate personal protective equipment (PPE), such as gloves and goggles, and ensuring proper ventilation. Excessive exposure may cause skin irritation, so caution should be exercised.

How should 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8) be stored?

5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 859826-41-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent loss of potency and contamination. Ideal storage conditions are below 25°C (77°F) and with a relative humidity below 60%. Care should be taken to avoid spillage and ensure proper labeling of the storage container.