5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione

C11H9FN2O3 — CID 53222321

IUPAC5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1F
InChIInChI=1S/C11H9FN2O3/c1-17-9-3-2-6(4-8(9)12)7-5-13-11(16)14-10(7)15/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyMQAYCYDHHVQODH-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.88
Rot. Bonds2

About 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione

5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 53222321) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID53222321
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1F
InChIInChI=1S/C11H9FN2O3/c1-17-9-3-2-6(4-8(9)12)7-5-13-11(16)14-10(7)15/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyMQAYCYDHHVQODH-UHFFFAOYSA-N
XLogP0.88
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 53222321) is 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MQAYCYDHHVQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-17-9-3-2-6(4-8(9)12)7-5-13-11(16)14-10(7)15/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 236.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53222321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).