N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
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Basic information
- CAS
136199-20-7- Standard SMILES
CCCn1c(N)c(NC(=O)C2CC3C=CC2C3)c(=O)n(CCC)c1=O- InChIKey
IVDSWPJNSDHMIN-UHFFFAOYSA-N- Molecular formula
- C18H26N4O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.2004907
Names & identifiers
- Preferred name
- N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
- IUPAC
- N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
- English name
- Bicyclo[2.2.1]hept-5-ene-2-carboxamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-
- Molecular formula
- C18H26N4O3
- Molecular weight
- 346.42
Names & synonyms
136199-20-7SCHEMBL7270818N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamideBicyclo[2.2.1]hept-5-ene-2-carboxamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyriBicyclo[2.2.1]hept-5-ene-2-carboxamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-
Database identifiers
- CAS
136199-20-7- PubChem CID
- 22402391
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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