Basic information
- CAS
131652-65-8- Standard SMILES
Cc1cn(CC[C@H](CO)NC#N)c(=O)[nH]c1=O- InChIKey
PMDLLFOONVYJBC-MRVPVSSYSA-N- Molecular formula
- C10H14N4O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.10659032
Names & identifiers
- Preferred name
- Cyanamide, (3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)propyl)-, (R)-
- IUPAC
- [(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]cyanamide
Names & synonyms
131652-65-8Cyanamide, (3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)propyl)-, (R)-1-(3-R-(Cyanoamino)-4-hydroxybutyl)thymine acyclonucleoside1-[3-R-(Cyanoamino)-4-hydroxybutyl]thymine acyclonucleosideCyanamide, [3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)propyl]-, (R)-DTXSID80157162[(1R)-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propyl]cyanamide[(2R)-1-Hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)butan-2-yl]cyanamide
Database identifiers
- CAS
131652-65-8- PubChem CID
- 452437
- DTXSID
DTXSID80157162
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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