3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate

C11H16N2O4 — CID 178102923

IUPAC3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate
SMILESCC(=O)OCCCOCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-8-6-11(15)13-10(12-8)7-16-4-3-5-17-9(2)14/h6H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyYMDJQVRSUTUJTF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.55
Rot. Bonds6

About 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate

3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate (PubChem CID 178102923) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate.

Molecular Properties

Compound Name3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate
PubChem CID178102923
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate
SMILESCC(=O)OCCCOCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-8-6-11(15)13-10(12-8)7-16-4-3-5-17-9(2)14/h6H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyYMDJQVRSUTUJTF-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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

4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890403
2-(Methoxymethyl)-6-methylpyrimidin-4(1H)-one
CID 135411137
Ethyl 4-hydroxy-6-methylpyrimidine-2-carboxylate
CID 135741923
6-(Ethoxymethyl)-4-hydroxy-2-(methoxymethyl)pyrimidine
CID 135800643
2-(Ethoxymethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 136233928
2-(dimethoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 136446628
(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl acetate
CID 153798284
acetyl acetate;2,4-dimethyl-1H-pyrimidin-6-one
CID 174464977
2-(3-hydroxypropoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 178102829
4-methyl-2-(prop-2-enoxymethyl)-1H-pyrimidin-6-one
CID 178102913
2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate
CID 178102966
(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate
CID 14493329

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate?
The IUPAC name of 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate (CID 178102923) is 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate.
What is the SMILES notation for 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate?
The canonical SMILES for 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate is CC(=O)OCCCOCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate?
The InChIKey is YMDJQVRSUTUJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-6-11(15)13-10(12-8)7-16-4-3-5-17-9(2)14/h6H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate?
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate has a molecular weight of 240.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate is sourced from PubChem (CID 178102923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).