4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H16N2O2 — CID 135540645

IUPAC4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(COc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-10(2)14-15-11(8-13(17)16-14)9-18-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,15,16,17)
InChIKeyPHRKUFRUBJGTJQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.47
Rot. Bonds4

About 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135540645) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135540645
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(COc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-10(2)14-15-11(8-13(17)16-14)9-18-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,15,16,17)
InChIKeyPHRKUFRUBJGTJQ-UHFFFAOYSA-N
XLogP2.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135540645) is 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(COc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PHRKUFRUBJGTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)14-15-11(8-13(17)16-14)9-18-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135540645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).