4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one

C12H12N2O2 — CID 135629818

IUPAC4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
InChIInChI=1S/C12H12N2O2/c1-8-13-11(7-12(15)14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)
InChIKeyVJEUXVAGFJHCDN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.75
Rot. Bonds2

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

4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135629818) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID135629818
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
InChIInChI=1S/C12H12N2O2/c1-8-13-11(7-12(15)14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)
InChIKeyVJEUXVAGFJHCDN-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one (CID 135629818) is 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VJEUXVAGFJHCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-13-11(7-12(15)14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one?
4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135629818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).