1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone

C10H14N2O2 — CID 83878792

IUPAC1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone
SMILESCC(=O)c1cc(OCC(C)C)ncn1
InChIInChI=1S/C10H14N2O2/c1-7(2)5-14-10-4-9(8(3)13)11-6-12-10/h4,6-7H,5H2,1-3H3
InChIKeyDVEKBZPAQPQGJP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.71
Rot. Bonds4

About 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone

1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone (PubChem CID 83878792) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone
PubChem CID83878792
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone
SMILESCC(=O)c1cc(OCC(C)C)ncn1
InChIInChI=1S/C10H14N2O2/c1-7(2)5-14-10-4-9(8(3)13)11-6-12-10/h4,6-7H,5H2,1-3H3
InChIKeyDVEKBZPAQPQGJP-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
CID 83619704
4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
6-acetylpyrimidine-4-carbaldehyde
CID 142891374
1-(6-acetylpyrimidin-4-yl)propan-1-one
CID 90334226
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide
CID 145084497
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
6-ethoxy-N-propylpyrimidine-4-carboxamide
CID 121167565

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone (CID 83878792) is 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone is CC(=O)c1cc(OCC(C)C)ncn1.
What is the InChIKey of 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone?
The InChIKey is DVEKBZPAQPQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)5-14-10-4-9(8(3)13)11-6-12-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone?
1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone is sourced from PubChem (CID 83878792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).