5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one

C10H16N2O3 — CID 63612619

IUPAC5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-3-5-15-6-8-11-9(13)7(4-2)10(14)12-8/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyDMAVZLCUTYFYQA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds5

About 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 63612619) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID63612619
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-3-5-15-6-8-11-9(13)7(4-2)10(14)12-8/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyDMAVZLCUTYFYQA-UHFFFAOYSA-N
XLogP0.96
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 63612619) is 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is DMAVZLCUTYFYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-15-6-8-11-9(13)7(4-2)10(14)12-8/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).