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

C14H16N2O2 — CID 135973722

IUPAC4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-2-8-18-10-13-15-12(9-14(17)16-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16,17)
InChIKeyFZMNUKAAEVVKHR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.36
Rot. Bonds5

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

4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135973722) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID135973722
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-2-8-18-10-13-15-12(9-14(17)16-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16,17)
InChIKeyFZMNUKAAEVVKHR-UHFFFAOYSA-N
XLogP2.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.36
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-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 135973722) is 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is FZMNUKAAEVVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-8-18-10-13-15-12(9-14(17)16-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16,17).
What are the key properties of 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135973722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).