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

C10H16N2O2 — CID 135973719

IUPAC4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-14-7-9-11-8(4-2)6-10(13)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,13)
InChIKeyYAAHJDZWECZFNJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.26
Rot. Bonds5

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

4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135973719) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID135973719
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-14-7-9-11-8(4-2)6-10(13)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,13)
InChIKeyYAAHJDZWECZFNJ-UHFFFAOYSA-N
XLogP1.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 135973719) is 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(CC)cc(=O)[nH]1.
What is the InChIKey of 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YAAHJDZWECZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-14-7-9-11-8(4-2)6-10(13)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,13).
What are the key properties of 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135973719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).