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

C16H20N2O3 — CID 136770100

IUPAC4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccccc2OCCOC)cc(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-3-6-15-17-13(11-16(19)18-15)12-7-4-5-8-14(12)21-10-9-20-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyAICVVCZMXDMNCL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds7

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

4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one (PubChem CID 136770100) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
PubChem CID136770100
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccccc2OCCOC)cc(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-3-6-15-17-13(11-16(19)18-15)12-7-4-5-8-14(12)21-10-9-20-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyAICVVCZMXDMNCL-UHFFFAOYSA-N
XLogP2.41
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
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-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136691943
4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136770020
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105
4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102
4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one (CID 136770100) is 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccccc2OCCOC)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one?
The InChIKey is AICVVCZMXDMNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-6-15-17-13(11-16(19)18-15)12-7-4-5-8-14(12)21-10-9-20-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one?
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 2.41, 7 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).