Basic information
- CAS
72044-87-2- Standard SMILES
C#Cc1oc([N+](=O)[O-])cc1-c1cc(C)nc(N)n1- InChIKey
VFCSIBYEIWCHSK-UHFFFAOYSA-N- Molecular formula
- C11H8N4O3
- Average molar mass
- 244.21 g/mol
- Monoisotopic mass
- 244.05964013
Names & identifiers
- Preferred name
- 2-Amino-4-methyl-6-(2-ethynyl-5-nitrofuryl)pyrimidine
- IUPAC
- 4-(2-ethynyl-5-nitrofuran-3-yl)-6-methylpyrimidin-2-amine
Names & synonyms
72044-87-22-Amino-4-methyl-6-(2-ethynyl-5-nitrofuryl)pyrimidineDTXSID102223722-Pyrimidinamine, 4-(2(or 5)-ethynyl-5(or 2)-nitro-3-furanyl)-6-methyl-RefChem:85216DTXCID101448634-(2-ethynyl-5-nitrofuran-3-yl)-6-methylpyrimidin-2-amine
Database identifiers
- CAS
72044-87-2- PubChem CID
- 192000
- DTXSID
DTXSID10222372
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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