2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one

C9H14N2O2 — CID 136930619

IUPAC2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOCC(C)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6(5-13-3)9-10-7(2)4-8(12)11-9/h4,6H,5H2,1-3H3,(H,10,11,12)
InChIKeyORZBZYFPAZLMJH-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.83
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one

2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136930619) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136930619
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOCC(C)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6(5-13-3)9-10-7(2)4-8(12)11-9/h4,6H,5H2,1-3H3,(H,10,11,12)
InChIKeyORZBZYFPAZLMJH-UHFFFAOYSA-N
XLogP0.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.83
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)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 136930619) is 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one is COCC(C)c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ORZBZYFPAZLMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(5-13-3)9-10-7(2)4-8(12)11-9/h4,6H,5H2,1-3H3,(H,10,11,12).
What are the key properties of 2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.83, 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)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136930619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).