1-(3-methoxyphenyl)pyrimidine-2,4-dione

C11H10N2O3 — CID 121216485

IUPAC1-(3-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cccc(-n2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C11H10N2O3/c1-16-9-4-2-3-8(7-9)13-6-5-10(14)12-11(13)15/h2-7H,1H3,(H,12,14,15)
InChIKeyZHVFSPOSJXTMMU-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.53
Rot. Bonds2

About 1-(3-methoxyphenyl)pyrimidine-2,4-dione

1-(3-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 121216485) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID121216485
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-(3-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cccc(-n2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C11H10N2O3/c1-16-9-4-2-3-8(7-9)13-6-5-10(14)12-11(13)15/h2-7H,1H3,(H,12,14,15)
InChIKeyZHVFSPOSJXTMMU-UHFFFAOYSA-N
XLogP0.53
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-methoxyphenyl)pyrimidine-2,4-dione (CID 121216485) is 1-(3-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-methoxyphenyl)pyrimidine-2,4-dione is COc1cccc(-n2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is ZHVFSPOSJXTMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-9-4-2-3-8(7-9)13-6-5-10(14)12-11(13)15/h2-7H,1H3,(H,12,14,15).
What are the key properties of 1-(3-methoxyphenyl)pyrimidine-2,4-dione?
1-(3-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 121216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).