5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one

C14H16N2O2 — CID 82118050

IUPAC5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cnc(=O)[nH]c2)cc1C(C)C
InChIInChI=1S/C14H16N2O2/c1-9(2)12-6-10(4-5-13(12)18-3)11-7-15-14(17)16-8-11/h4-9H,1-3H3,(H,15,16,17)
InChIKeyBMKDPCZNALIRNY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds3

About 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one

5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one (PubChem CID 82118050) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
PubChem CID82118050
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cnc(=O)[nH]c2)cc1C(C)C
InChIInChI=1S/C14H16N2O2/c1-9(2)12-6-10(4-5-13(12)18-3)11-7-15-14(17)16-8-11/h4-9H,1-3H3,(H,15,16,17)
InChIKeyBMKDPCZNALIRNY-UHFFFAOYSA-N
XLogP2.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
CID 82078805
4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
CID 154987872
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
CID 116857718
6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 94282421
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one (CID 82118050) is 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one is COc1ccc(-c2cnc(=O)[nH]c2)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one?
The InChIKey is BMKDPCZNALIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)12-6-10(4-5-13(12)18-3)11-7-15-14(17)16-8-11/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one?
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82118050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).