4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one

C16H20N2O3 — CID 136770106

IUPAC4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCOc1ccccc1-c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C16H20N2O3/c1-11(2)16-17-13(10-15(19)18-16)12-6-4-5-7-14(12)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyMISFXZPZIOOLFM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.59
Rot. Bonds6

About 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136770106) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136770106
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCOc1ccccc1-c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C16H20N2O3/c1-11(2)16-17-13(10-15(19)18-16)12-6-4-5-7-14(12)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyMISFXZPZIOOLFM-UHFFFAOYSA-N
XLogP2.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769281
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852341
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136770106) is 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one is COCCOc1ccccc1-c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MISFXZPZIOOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)16-17-13(10-15(19)18-16)12-6-4-5-7-14(12)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).