Ethyl 2,4-Diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate - CAS 96986-15-1
Catalog: |
BB042023 |
Product Name: |
Ethyl 2,4-Diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate |
CAS: |
96986-15-1 |
Synonyms: |
2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid ethyl ester; ethyl 2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate |
IUPAC Name: | ethyl 2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate |
Description: | Ethyl 2,4-Diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate (CAS# 96986-15-1 ) is a useful research chemical. |
Molecular Weight: | 279.29 |
Molecular Formula: | C13H17N3O4 |
Canonical SMILES: | CCOC1=NC(=NC2=C1NC(=C2)C(=O)OCC)OCC |
InChI: | InChI=1S/C13H17N3O4/c1-4-18-11-10-8(15-13(16-11)20-6-3)7-9(14-10)12(17)19-5-2/h7,14H,4-6H2,1-3H3 |
InChI Key: | KOYHPOCBEKYMFT-UHFFFAOYSA-N |
LogP: | 1.93200 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.12190603 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.12190603 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 86.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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