1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone

C7H10N2O — CID 90191353

IUPAC1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone
SMILESCC(=O)C1=CNC(C)=NC1
InChIInChI=1S/C7H10N2O/c1-5(10)7-3-8-6(2)9-4-7/h3H,4H2,1-2H3,(H,8,9)
InChIKeyWJPMZTMMLVWMLQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.48
Rot. Bonds1

About 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone

1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone (PubChem CID 90191353) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone
PubChem CID90191353
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone
SMILESCC(=O)C1=CNC(C)=NC1
InChIInChI=1S/C7H10N2O/c1-5(10)7-3-8-6(2)9-4-7/h3H,4H2,1-2H3,(H,8,9)
InChIKeyWJPMZTMMLVWMLQ-UHFFFAOYSA-N
XLogP0.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone (CID 90191353) is 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone is CC(=O)C1=CNC(C)=NC1.
What is the InChIKey of 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone?
The InChIKey is WJPMZTMMLVWMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(10)7-3-8-6(2)9-4-7/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone?
1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethanone is sourced from PubChem (CID 90191353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).