5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one

C8H12N2O2 — CID 89460216

IUPAC5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
SMILESCC(C)(C)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)12-6-4-9-7(11)10-5-6/h4-5H,1-3H3,(H,9,10,11)
InChIKeyFUZCDHDQQHUQJB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.95
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one

5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one (PubChem CID 89460216) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
PubChem CID89460216
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
SMILESCC(C)(C)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)12-6-4-9-7(11)10-5-6/h4-5H,1-3H3,(H,9,10,11)
InChIKeyFUZCDHDQQHUQJB-UHFFFAOYSA-N
XLogP0.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one (CID 89460216) is 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one is CC(C)(C)Oc1cnc(=O)[nH]c1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
The InChIKey is FUZCDHDQQHUQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)12-6-4-9-7(11)10-5-6/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one is sourced from PubChem (CID 89460216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).