2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one

C10H16N2O3 — CID 91717802

IUPAC2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one
SMILESCCCCCCc1nc(O)c(O)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-2-3-4-5-6-7-11-9(14)8(13)10(15)12-7/h13H,2-6H2,1H3,(H2,11,12,14,15)
InChIKeyRDYQQNBSSDVVMZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.30
Rot. Bonds5

About 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one

2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one (PubChem CID 91717802) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one
PubChem CID91717802
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one
SMILESCCCCCCc1nc(O)c(O)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-2-3-4-5-6-7-11-9(14)8(13)10(15)12-7/h13H,2-6H2,1H3,(H2,11,12,14,15)
InChIKeyRDYQQNBSSDVVMZ-UHFFFAOYSA-N
XLogP1.30
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one (CID 91717802) is 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one is CCCCCCc1nc(O)c(O)c(=O)[nH]1.
What is the InChIKey of 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one?
The InChIKey is RDYQQNBSSDVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-4-5-6-7-11-9(14)8(13)10(15)12-7/h13H,2-6H2,1H3,(H2,11,12,14,15).
What are the key properties of 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one?
2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,5-dihydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 91717802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).