1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one

C10H14N2O3 — CID 66327569

IUPAC1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
SMILESCOCC(=O)Cc1ncnc(OC)c1C
InChIInChI=1S/C10H14N2O3/c1-7-9(4-8(13)5-14-2)11-6-12-10(7)15-3/h6H,4-5H2,1-3H3
InChIKeyVKPJHAJDVGXQGO-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds5

About 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one

1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one (PubChem CID 66327569) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
PubChem CID66327569
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
SMILESCOCC(=O)Cc1ncnc(OC)c1C
InChIInChI=1S/C10H14N2O3/c1-7-9(4-8(13)5-14-2)11-6-12-10(7)15-3/h6H,4-5H2,1-3H3
InChIKeyVKPJHAJDVGXQGO-UHFFFAOYSA-N
XLogP0.55
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one (CID 66327569) is 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one is COCC(=O)Cc1ncnc(OC)c1C.
What is the InChIKey of 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
The InChIKey is VKPJHAJDVGXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-9(4-8(13)5-14-2)11-6-12-10(7)15-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one has a molecular weight of 210.23 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 66327569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).