2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one

C16H20N2O3 — CID 136770120

IUPAC2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1-c1cc(=O)[nH]c(COCC)n1
InChIInChI=1S/C16H20N2O3/c1-3-9-21-14-8-6-5-7-12(14)13-10-16(19)18-15(17-13)11-20-4-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18,19)
InChIKeyMNKZIWXXMMUPDJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.76
Rot. Bonds7

About 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136770120) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136770120
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1-c1cc(=O)[nH]c(COCC)n1
InChIInChI=1S/C16H20N2O3/c1-3-9-21-14-8-6-5-7-12(14)13-10-16(19)18-15(17-13)11-20-4-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18,19)
InChIKeyMNKZIWXXMMUPDJ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770437
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770420
4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136770020
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one (CID 136770120) is 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one is CCCOc1ccccc1-c1cc(=O)[nH]c(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is MNKZIWXXMMUPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-9-21-14-8-6-5-7-12(14)13-10-16(19)18-15(17-13)11-20-4-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).