1-(3,3-Bishydroxymethylcyclobut-1-yl)-cytosine
Basic information
- CAS
138420-50-5- Standard SMILES
Nc1ccn(C2CC(CO)(CO)C2)c(=O)n1- InChIKey
HFCZYFJVJRCNSG-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.11134135
Names & identifiers
- Preferred name
- 1-(3,3-Bishydroxymethylcyclobut-1-yl)-cytosine
- IUPAC
- 4-amino-1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-one
Names & synonyms
138420-50-53,3-OHMe-cyclobutyl-C1-(3,3-Bishydroxymethylcyclobut-1-yl)-cytosine4-Amino-1-(3,3-bis(hydroxymethyl)cyclobutyl)pyrimidin-2(1H)-one4-Amino-1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2(1H)-one4-amino-1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-oneDTXSID40160677
Database identifiers
- CAS
138420-50-5- PubChem CID
- 453453
- DTXSID
DTXSID40160677- Nikkaji
- J458.542I
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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