2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one

C16H20N2O3 — CID 136770105

IUPAC2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2OCCOC)c(C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-4-14-17-15(11(2)16(19)18-14)12-7-5-6-8-13(12)21-10-9-20-3/h5-8H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyYLEDEMDNKUXJQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds6

About 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one

2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770105) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID136770105
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2OCCOC)c(C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-4-14-17-15(11(2)16(19)18-14)12-7-5-6-8-13(12)21-10-9-20-3/h5-8H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyYLEDEMDNKUXJQI-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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

2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102
2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
CID 136770406
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one
CID 167857998
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
N-ethyl-3-[2-(2-methoxyethoxy)phenyl]pyrazin-2-amine
CID 104663215

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one (CID 136770105) is 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2ccccc2OCCOC)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is YLEDEMDNKUXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-14-17-15(11(2)16(19)18-14)12-7-5-6-8-13(12)21-10-9-20-3/h5-8H,4,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one?
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).