2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate

C11H16N2O4 — CID 178102966

IUPAC2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-8-7-11(15)13-10(12-8)3-4-16-5-6-17-9(2)14/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyCQSLTCWRTNNFIO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.20
Rot. Bonds6

About 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate

2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate (PubChem CID 178102966) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate
PubChem CID178102966
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-8-7-11(15)13-10(12-8)3-4-16-5-6-17-9(2)14/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyCQSLTCWRTNNFIO-UHFFFAOYSA-N
XLogP0.20
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate
CID 137281230
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 137058865
ethyl 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)acetate
CID 140392385
acetyl acetate;2,4-dimethyl-1H-pyrimidin-6-one
CID 174464977
4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl acetate
CID 178102902
2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 178102906
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate
CID 178102923
2-(2-Methoxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 136043697
methyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 136170852
2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136713682
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 136780873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate (CID 178102966) is 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate is CC(=O)OCCOCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate?
The InChIKey is CQSLTCWRTNNFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-7-11(15)13-10(12-8)3-4-16-5-6-17-9(2)14/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate?
2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate has a molecular weight of 240.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate is sourced from PubChem (CID 178102966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).