4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one

C10H14N2O2 — CID 62038268

IUPAC4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one
SMILESCCC(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H14N2O2/c1-4-9(13)6-12-8(3)5-7(2)11-10(12)14/h5H,4,6H2,1-3H3
InChIKeyIOVZWGFOYSOGRV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds3

About 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one

4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one (PubChem CID 62038268) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one
PubChem CID62038268
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one
SMILESCCC(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H14N2O2/c1-4-9(13)6-12-8(3)5-7(2)11-10(12)14/h5H,4,6H2,1-3H3
InChIKeyIOVZWGFOYSOGRV-UHFFFAOYSA-N
XLogP0.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one (CID 62038268) is 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one is CCC(=O)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one?
The InChIKey is IOVZWGFOYSOGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-9(13)6-12-8(3)5-7(2)11-10(12)14/h5H,4,6H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one?
4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-oxobutyl)pyrimidin-2-one is sourced from PubChem (CID 62038268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).