2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one

C10H16N2O2 — CID 129255789

IUPAC2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(CC(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)5-8-11-6-7(14-4)9(13)12-8/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeySWPNEXWAAXCGKZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.37
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one

2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 129255789) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID129255789
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(CC(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)5-8-11-6-7(14-4)9(13)12-8/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeySWPNEXWAAXCGKZ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one (CID 129255789) is 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one is COc1cnc(CC(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SWPNEXWAAXCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)5-8-11-6-7(14-4)9(13)12-8/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one?
2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 129255789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).