5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one

C12H12N2O3 — CID 103695300

IUPAC5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(OC)cc(-c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H12N2O3/c1-16-9-3-8(4-10(5-9)17-2)11-6-13-7-14-12(11)15/h3-7H,1-2H3,(H,13,14,15)
InChIKeyUXSKCVXMWDHCKM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds3

About 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one

5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 103695300) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID103695300
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(OC)cc(-c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H12N2O3/c1-16-9-3-8(4-10(5-9)17-2)11-6-13-7-14-12(11)15/h3-7H,1-2H3,(H,13,14,15)
InChIKeyUXSKCVXMWDHCKM-UHFFFAOYSA-N
XLogP1.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one (CID 103695300) is 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one is COc1cc(OC)cc(-c2cnc[nH]c2=O)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is UXSKCVXMWDHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-9-3-8(4-10(5-9)17-2)11-6-13-7-14-12(11)15/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103695300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).