1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one

C10H14N2O2 — CID 63198665

IUPAC1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one
SMILESCCc1cc(CC(=O)COC)ncn1
InChIInChI=1S/C10H14N2O2/c1-3-8-4-9(12-7-11-8)5-10(13)6-14-2/h4,7H,3,5-6H2,1-2H3
InChIKeyYEWBBJUOENMPSB-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.80
Rot. Bonds5

About 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one

1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one (PubChem CID 63198665) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one
PubChem CID63198665
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one
SMILESCCc1cc(CC(=O)COC)ncn1
InChIInChI=1S/C10H14N2O2/c1-3-8-4-9(12-7-11-8)5-10(13)6-14-2/h4,7H,3,5-6H2,1-2H3
InChIKeyYEWBBJUOENMPSB-UHFFFAOYSA-N
XLogP0.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one (CID 63198665) is 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one is CCc1cc(CC(=O)COC)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one?
The InChIKey is YEWBBJUOENMPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-8-4-9(12-7-11-8)5-10(13)6-14-2/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one?
1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 63198665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).