1-(4-methyl-6-propylpyrimidin-2-yl)ethanone

C10H14N2O — CID 116895319

IUPAC1-(4-methyl-6-propylpyrimidin-2-yl)ethanone
SMILESCCCc1cc(C)nc(C(C)=O)n1
InChIInChI=1S/C10H14N2O/c1-4-5-9-6-7(2)11-10(12-9)8(3)13/h6H,4-5H2,1-3H3
InChIKeyJFIVGXVXIGXKOE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.94
Rot. Bonds3

About 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone

1-(4-methyl-6-propylpyrimidin-2-yl)ethanone (PubChem CID 116895319) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-6-propylpyrimidin-2-yl)ethanone
PubChem CID116895319
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(4-methyl-6-propylpyrimidin-2-yl)ethanone
SMILESCCCc1cc(C)nc(C(C)=O)n1
InChIInChI=1S/C10H14N2O/c1-4-5-9-6-7(2)11-10(12-9)8(3)13/h6H,4-5H2,1-3H3
InChIKeyJFIVGXVXIGXKOE-UHFFFAOYSA-N
XLogP1.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-propylpyrimidine
CID 24975150
2-bromo-4-methyl-6-propylpyrimidine
CID 116897203
4-methyl-2,6-dipropylpyridine
CID 13400495
3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile
CID 116895090
1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
CID 58291736
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid
CID 121206900
1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895335
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
CID 94077073
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone (CID 116895319) is 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone is CCCc1cc(C)nc(C(C)=O)n1.
What is the InChIKey of 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone?
The InChIKey is JFIVGXVXIGXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-5-9-6-7(2)11-10(12-9)8(3)13/h6H,4-5H2,1-3H3.
What are the key properties of 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone?
1-(4-methyl-6-propylpyrimidin-2-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-propylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 116895319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).