2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one

C9H14N2O3 — CID 79375931

IUPAC2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
SMILESCOCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H14N2O3/c1-7-6-8(12)11(4-5-13-2)9(10-7)14-3/h6H,4-5H2,1-3H3
InChIKeyMMZYOZIUIBLAAS-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.21
Rot. Bonds4

About 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one

2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one (PubChem CID 79375931) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
PubChem CID79375931
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
SMILESCOCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H14N2O3/c1-7-6-8(12)11(4-5-13-2)9(10-7)14-3/h6H,4-5H2,1-3H3
InChIKeyMMZYOZIUIBLAAS-UHFFFAOYSA-N
XLogP0.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 21510787
2,3-Dihydro-7-methyl-5h-oxazolo[3,2-a]pyrimidin-5-one
CID 12618999
2-Methoxy-6-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 79375275
3-(2,2-Difluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375857
2-Methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 79375940
2-Methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 79376114
2-Methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 79376478
3-(2-Fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 80695143
3-(3-Fluoropropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 81114529
Ethyl 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetate
CID 81297477
Ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 81297791
Trifluoro-[3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746432

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one (CID 79375931) is 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one is COCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is MMZYOZIUIBLAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-6-8(12)11(4-5-13-2)9(10-7)14-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 198.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 79375931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).