4-hexyl-5-hydroxy-1H-pyrimidin-6-one

C10H16N2O2 — CID 148952934

IUPAC4-hexyl-5-hydroxy-1H-pyrimidin-6-one
SMILESCCCCCCc1nc[nH]c(=O)c1O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-6-8-9(13)10(14)12-7-11-8/h7,13H,2-6H2,1H3,(H,11,12,14)
InChIKeyPQHLLNCFDTZNFF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.60
Rot. Bonds5

About 4-hexyl-5-hydroxy-1H-pyrimidin-6-one

4-hexyl-5-hydroxy-1H-pyrimidin-6-one (PubChem CID 148952934) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hexyl-5-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hexyl-5-hydroxy-1H-pyrimidin-6-one
PubChem CID148952934
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hexyl-5-hydroxy-1H-pyrimidin-6-one
SMILESCCCCCCc1nc[nH]c(=O)c1O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-6-8-9(13)10(14)12-7-11-8/h7,13H,2-6H2,1H3,(H,11,12,14)
InChIKeyPQHLLNCFDTZNFF-UHFFFAOYSA-N
XLogP1.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-4-propan-2-yl-1H-pyrimidin-6-one
CID 136501499
5-hydroxy-4-(2-methylpropanoyl)-1H-pyrimidin-6-one
CID 136590818
4-ethyl-5-hydroxy-1H-pyrimidin-6-one
CID 136594404
4-acetyl-5-hydroxy-1H-pyrimidin-6-one;ethane
CID 144261283
4-cyclobutyl-5-hydroxy-1H-pyrimidin-6-one
CID 173584060
4-(1-ethylcyclobutyl)-5-hydroxy-1H-pyrimidin-6-one
CID 173584066
5-hydroxy-4-(1-methylcyclobutyl)-1H-pyrimidin-6-one
CID 173584075
5-hydroxy-4-(1-methylcyclohexyl)-1H-pyrimidin-6-one
CID 173629834
4-butyl-5-methoxy-1H-pyrimidin-6-one
CID 136805678
6-Tert-butyl-5-hydroxy-3,4-dihydropyrimidin-4-one
CID 171326314

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-5-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 4-hexyl-5-hydroxy-1H-pyrimidin-6-one (CID 148952934) is 4-hexyl-5-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hexyl-5-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-hexyl-5-hydroxy-1H-pyrimidin-6-one is CCCCCCc1nc[nH]c(=O)c1O.
What is the InChIKey of 4-hexyl-5-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PQHLLNCFDTZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-5-6-8-9(13)10(14)12-7-11-8/h7,13H,2-6H2,1H3,(H,11,12,14).
What are the key properties of 4-hexyl-5-hydroxy-1H-pyrimidin-6-one?
4-hexyl-5-hydroxy-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-5-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 148952934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).