2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one

C8H12N2O2 — CID 116502286

IUPAC2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOCC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-6(5-12-2)8-9-4-3-7(11)10-8/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyQBZBMNDBTVZTGK-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.52
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one

2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 116502286) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one
PubChem CID116502286
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOCC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-6(5-12-2)8-9-4-3-7(11)10-8/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyQBZBMNDBTVZTGK-UHFFFAOYSA-N
XLogP0.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one (CID 116502286) is 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one is COCC(C)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is QBZBMNDBTVZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(5-12-2)8-9-4-3-7(11)10-8/h3-4,6H,5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116502286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).