1-[3-(6-Amino-9H-purin-9-yl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
22917-84-6- Standard SMILES
Cc1cn(CCCn2cnc3c(N)ncnc32)c(=O)[nH]c1=O- InChIKey
HCHYIVNRNZTHMI-UHFFFAOYSA-N- Molecular formula
- C13H15N7O2
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.12872275
Names & identifiers
- Preferred name
- 1-[3-(6-Amino-9H-purin-9-yl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 1-[3-(6-aminopurin-9-yl)propyl]-5-methylpyrimidine-2,4-dione
Names & synonyms
22917-84-6NSC372333DTXSID703212391-[3-(6-Amino-9H-purin-9-yl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dioneNSC-372333
Database identifiers
- CAS
22917-84-6- PubChem CID
- 340994
- DTXSID
DTXSID70321239
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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