6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

C11H10N2O3 — CID 658918

IUPAC6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyXAIOLTHASPQESG-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.74
Rot. Bonds2

About 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 658918) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID658918
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyXAIOLTHASPQESG-UHFFFAOYSA-N
XLogP0.74
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 658918) is 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XAIOLTHASPQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 658918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).