1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone

C10H14N2O2 — CID 19694222

IUPAC1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
SMILESCC(=O)c1ncnc(OC(C)C)c1C
InChIInChI=1S/C10H14N2O2/c1-6(2)14-10-7(3)9(8(4)13)11-5-12-10/h5-6H,1-4H3
InChIKeyCYNFGFNHYUEWSR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.77
Rot. Bonds3

About 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone

1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone (PubChem CID 19694222) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
PubChem CID19694222
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
SMILESCC(=O)c1ncnc(OC(C)C)c1C
InChIInChI=1S/C10H14N2O2/c1-6(2)14-10-7(3)9(8(4)13)11-5-12-10/h5-6H,1-4H3
InChIKeyCYNFGFNHYUEWSR-UHFFFAOYSA-N
XLogP1.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone (CID 19694222) is 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone is CC(=O)c1ncnc(OC(C)C)c1C.
What is the InChIKey of 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone?
The InChIKey is CYNFGFNHYUEWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)14-10-7(3)9(8(4)13)11-5-12-10/h5-6H,1-4H3.
What are the key properties of 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone?
1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 19694222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).