4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one

C10H16N2O2 — CID 166803033

IUPAC4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-7-11-8(13)5-9(12-7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H,11,12,13)
InChIKeyWPJYXAVGSDENRN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.50
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one

4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 166803033) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID166803033
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-7-11-8(13)5-9(12-7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H,11,12,13)
InChIKeyWPJYXAVGSDENRN-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one (CID 166803033) is 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WPJYXAVGSDENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-11-8(13)5-9(12-7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H,11,12,13).
What are the key properties of 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one?
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 166803033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).