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

C10H14N2O4 — CID 107507823

IUPAC2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one
SMILESCOCC(=O)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H14N2O4/c1-7-4-9(14)12(10(11-7)16-3)5-8(13)6-15-2/h4H,5-6H2,1-3H3
InChIKeyRENGTHZYJXLCGU-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.22
Rot. Bonds5

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

2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one (PubChem CID 107507823) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one
PubChem CID107507823
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one
SMILESCOCC(=O)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H14N2O4/c1-7-4-9(14)12(10(11-7)16-3)5-8(13)6-15-2/h4H,5-6H2,1-3H3
InChIKeyRENGTHZYJXLCGU-UHFFFAOYSA-N
XLogP-0.22
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one (CID 107507823) is 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one is COCC(=O)Cn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
The InChIKey is RENGTHZYJXLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-4-9(14)12(10(11-7)16-3)5-8(13)6-15-2/h4H,5-6H2,1-3H3.
What are the key properties of 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one has a molecular weight of 226.23 g/mol, XLogP of -0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 107507823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).