6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one

C9H14N2O2 — CID 130056093

IUPAC6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
SMILESCc1cc(OC(C)(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-5-7(11-8(12)10-6)13-9(2,3)4/h5H,1-4H3,(H,10,11,12)
InChIKeyKUXJLCVTJVRWBP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.26
Rot. Bonds1

About 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one

6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one (PubChem CID 130056093) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
PubChem CID130056093
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
SMILESCc1cc(OC(C)(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-5-7(11-8(12)10-6)13-9(2,3)4/h5H,1-4H3,(H,10,11,12)
InChIKeyKUXJLCVTJVRWBP-UHFFFAOYSA-N
XLogP1.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one (CID 130056093) is 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one is Cc1cc(OC(C)(C)C)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
The InChIKey is KUXJLCVTJVRWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-7(11-8(12)10-6)13-9(2,3)4/h5H,1-4H3,(H,10,11,12).
What are the key properties of 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one?
6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one is sourced from PubChem (CID 130056093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).