2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one

C13H14N2O3 — CID 135746696

IUPAC2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1OCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H14N2O3/c1-9-7-13(16)15-12(14-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyRZUHDCZQMUIWEE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.67
Rot. Bonds4

About 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one

2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135746696) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135746696
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1OCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H14N2O3/c1-9-7-13(16)15-12(14-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyRZUHDCZQMUIWEE-UHFFFAOYSA-N
XLogP1.67
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one (CID 135746696) is 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one is COc1ccccc1OCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RZUHDCZQMUIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-7-13(16)15-12(14-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135746696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).