Basic information
- Standard SMILES
CC(C)(C)Oc1ncc(-c2ncnc3[nH]ccc23)c(OC(C)(C)C)n1- InChIKey
NINQVFAYCGLOLF-UHFFFAOYSA-N- Molecular formula
- C18H23N5O2
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 4-(2,4-di-tert-butoxypyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL3644557NINQVFAYCGLOLF-UHFFFAOYSA-N4-(2,4-di-tert-butoxypyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 68726071
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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