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Basic Information
CAS No.: 39929-79-8
Name: 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol
Article Data: 24
Cas Database
Molecular Structure:
Molecular Structure of 39929-79-8 (7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol)
Formula: C6H5N3O2
Molecular Weight: 151.125
Synonyms: 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol(6CI);7-Deazaxanthine;1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione;
Density: 1.774 g/cm3
Melting Point: >250 °C
Appearance: Pink to brown solid
Hazard Symbols: IrritantXi
PSA: 82.03000
LogP: 0.36910
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Chemistry


IUPAC Name: 1,7-Dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
Molecular Formula: C6H5N3O2
Molecular Weight: 151.12 g/mol
Canonical SMILES: C1=CNC2=C1C(=O)NC(=O)N2
InChI: InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
XLogP3-AA: -0.4
H-Bond Donor: 3
H-Bond Acceptor: 2
Product Categories: Nucleotides and Nucleosides; Bases & Related Reagents; Intermediates; Nucleotides; Fused Ring Systems
Index of Refraction: 1.863
Molar Refractivity: 38.474 cm3
Molar Volume: 85.179 cm3
Surface Tension: 132.574 dyne/cm
Density: 1.774 g/cm3
Melting Point of 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol (CAS NO.39929-79-8): >250 °C

Safety Profile

Hazard Codes: IrritantXi

Specification

  7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol (CAS NO.39929-79-8), its Synonyms are 2,4-Dihydroxy-1H-pyrrolo[2,3-d]pyrimidine ; 2,4-Dihydroxy-7-deazapurine ; 1H-Pyrrolo-[2,3-d]-pyrimidine-2,4(3h,7h)-dione ; 1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione ; 4,6-Dihydroxy pyrrolo pyrimidine . It is pink to brown solid.