1-(4,6-dimethylpyrimidin-2-yl)propan-1-one

C9H12N2O — CID 58291736

IUPAC1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
SMILESCCC(=O)c1nc(C)cc(C)n1
InChIInChI=1S/C9H12N2O/c1-4-8(12)9-10-6(2)5-7(3)11-9/h5H,4H2,1-3H3
InChIKeyWMYNBEWBUGSQAA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.69
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one

1-(4,6-dimethylpyrimidin-2-yl)propan-1-one (PubChem CID 58291736) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
PubChem CID58291736
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
SMILESCCC(=O)c1nc(C)cc(C)n1
InChIInChI=1S/C9H12N2O/c1-4-8(12)9-10-6(2)5-7(3)11-9/h5H,4H2,1-3H3
InChIKeyWMYNBEWBUGSQAA-UHFFFAOYSA-N
XLogP1.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one (CID 58291736) is 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one is CCC(=O)c1nc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one?
The InChIKey is WMYNBEWBUGSQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-8(12)9-10-6(2)5-7(3)11-9/h5H,4H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one?
1-(4,6-dimethylpyrimidin-2-yl)propan-1-one has a molecular weight of 164.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)propan-1-one is sourced from PubChem (CID 58291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).