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  2. 1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

Oc1nc(O)c2c(n1)[nH]cc2 Request for Quotation
Chemical Name: 1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
CAS Number: 39929-79-8
Product Number: AG00BYHT(AGN-PC-00GT5C)
Synonyms:
MDL No: MFCD03092515
Molecular Formula: C6H5N3O2
Molecular Weight: 151.1228

Identification/Properties

Properties
MP:
>250°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
151.125g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
151.038g/mol
Monoisotopic Mass:
151.038g/mol
Topological Polar Surface Area:
74A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
216
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals due to its structural features and functional groups. In chemical synthesis, 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol acts as a vital intermediate in the formation of complex organic molecules through a series of well-defined reactions such as nucleophilic substitutions, condensations, and cyclizations. Its presence enables the efficient construction of novel compounds with diverse properties and applications in drug discovery, materials science, and industrial chemistry. The strategic incorporation of 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol in synthetic pathways enhances the synthetic efficiency, selectivity, and overall success of complex molecule synthesis, making it a valuable tool for chemists and researchers striving to develop innovative chemical entities.