5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one

C9H14N2O2 — CID 131861516

IUPAC5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCOCc1cnc(CC)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-8-10-5-7(6-13-4-2)9(12)11-8/h5H,3-4,6H2,1-2H3,(H,10,11,12)
InChIKeyGFTFSBRZZQNCPB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.87
Rot. Bonds4

About 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one

5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 131861516) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID131861516
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCOCc1cnc(CC)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-8-10-5-7(6-13-4-2)9(12)11-8/h5H,3-4,6H2,1-2H3,(H,10,11,12)
InChIKeyGFTFSBRZZQNCPB-UHFFFAOYSA-N
XLogP0.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
CID 293750
Ethyl 2-(tert-butyl)-4-hydroxypyrimidine-5-carboxylate
CID 2304284
Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 12363082
Ethyl 2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 24903910
5-(Ethoxymethyl)-2-methylpyrimidin-4(3h)-one
CID 224568
ethyl 2-(fluoromethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 53765173
ethyl 6-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxylate
CID 62022072
ethyl 6-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-5-carboxylate
CID 79965019
ethyl 6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-5-carboxylate
CID 103150197
ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 113781136
Methyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
CID 3755043
Ethyl 2-butyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 10242733

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one (CID 131861516) is 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one is CCOCc1cnc(CC)[nH]c1=O.
What is the InChIKey of 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GFTFSBRZZQNCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8-10-5-7(6-13-4-2)9(12)11-8/h5H,3-4,6H2,1-2H3,(H,10,11,12).
What are the key properties of 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one?
5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 131861516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).