2,4-diamino-5-hexyl-1H-pyrimidin-6-one
Basic information
- CAS
4038-53-3- Standard SMILES
CCCCCCc1c(N)nc(N)[nH]c1=O- InChIKey
UZSWVTQCFXCQDS-UHFFFAOYSA-N- Molecular formula
- C10H18N4O
- Average molar mass
- 210.28 g/mol
- Monoisotopic mass
- 210.14806121
Names & identifiers
- Preferred name
- 2,4-diamino-5-hexyl-1H-pyrimidin-6-one
- IUPAC
- 2,4-diamino-5-hexyl-1H-pyrimidin-6-one
Names & synonyms
NSC2119864038-53-3DTXSID60309445NSC-2119862,6-Diamino-5-hexylpyrimidin-4(1H)-one
Database identifiers
- CAS
4038-53-3- PubChem CID
- 135431925
- DTXSID
DTXSID60309445
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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