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

C10H14N2O2 — CID 66325762

IUPAC1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one
SMILESCCOc1ncnc(CC(C)=O)c1C
InChIInChI=1S/C10H14N2O2/c1-4-14-10-8(3)9(5-7(2)13)11-6-12-10/h6H,4-5H2,1-3H3
InChIKeyAIEFLYYWYXJJDL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds4

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

1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one (PubChem CID 66325762) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one
PubChem CID66325762
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one
SMILESCCOc1ncnc(CC(C)=O)c1C
InChIInChI=1S/C10H14N2O2/c1-4-14-10-8(3)9(5-7(2)13)11-6-12-10/h6H,4-5H2,1-3H3
InChIKeyAIEFLYYWYXJJDL-UHFFFAOYSA-N
XLogP1.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one (CID 66325762) is 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one is CCOc1ncnc(CC(C)=O)c1C.
What is the InChIKey of 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one?
The InChIKey is AIEFLYYWYXJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-10-8(3)9(5-7(2)13)11-6-12-10/h6H,4-5H2,1-3H3.
What are the key properties of 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one?
1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-5-methylpyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 66325762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).