4,7-Dihydro-4-oxo-2-[(triphenylmethyl)amino]-3H-pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde - CAS 1019853-65-6
Catalog: |
BB067494 |
Product Name: |
4,7-Dihydro-4-oxo-2-[(triphenylmethyl)amino]-3H-pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde |
CAS: |
1019853-65-6 |
Synonyms: |
4-Oxo-2-(tritylamino)-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbaldehyde; 4,7-Dihydro-4-oxo-2-[(triphenylmethyl)amino]-3H-pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde; 2-(Tritylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
IUPAC Name: | 4-oxo-2-(tritylamino)-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
Description: | 4,7-Dihydro-4-oxo-2-[(triphenylmethyl)amino]-3H-pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde is an intermediate in the synthesis of Queuine (Q525000), the modified base which is found at first anticodon position of specific tRNAs. |
Molecular Weight: | 420.46 |
Molecular Formula: | C26H20N4O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=CN5)C=O)C(=O)N4 |
InChI: | InChI=1S/C26H20N4O2/c31-17-18-16-27-23-22(18)24(32)29-25(28-23)30-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17H,(H3,27,28,29,30,32) |
InChI Key: | CIOBFBYUHYKBBM-UHFFFAOYSA-N |
Solubility: | Chloroform, Methanol |
Appearance: | Yellow Solid |
Storage: | -20°C Freezer |
References: | Brooks, A, F., et al. Tetrahedron. Lett., 51, 4163 (2010). |
Complexity: | 659 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 420.15862589 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 420.15862589 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 86.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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