1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone

C12H18N2O2 — CID 116778429

IUPAC1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
SMILESCCC(C)(OC)c1ncc(C(C)=O)c(C)n1
InChIInChI=1S/C12H18N2O2/c1-6-12(4,16-5)11-13-7-10(9(3)15)8(2)14-11/h7H,6H2,1-5H3
InChIKeyFCDFNCCSJZVGPX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone

1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone (PubChem CID 116778429) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
PubChem CID116778429
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
SMILESCCC(C)(OC)c1ncc(C(C)=O)c(C)n1
InChIInChI=1S/C12H18N2O2/c1-6-12(4,16-5)11-13-7-10(9(3)15)8(2)14-11/h7H,6H2,1-5H3
InChIKeyFCDFNCCSJZVGPX-UHFFFAOYSA-N
XLogP2.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
1-(2-tert-butyl-4-methylpyrimidin-5-yl)ethanone
CID 62771539
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873
1-(2-iodo-4-methylpyrimidin-5-yl)ethanone
CID 133054602
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 116779034
4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine
CID 116781889
1-[4-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]pyrimidin-5-yl]ethanone
CID 137337961
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]ethanone
CID 116731021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone (CID 116778429) is 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone is CCC(C)(OC)c1ncc(C(C)=O)c(C)n1.
What is the InChIKey of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is FCDFNCCSJZVGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6-12(4,16-5)11-13-7-10(9(3)15)8(2)14-11/h7H,6H2,1-5H3.
What are the key properties of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone?
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 116778429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).