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

C11H9FN2O3 — CID 113389395

IUPAC6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(F)c1-c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9FN2O3/c1-17-8-4-2-3-6(12)10(8)7-5-9(15)14-11(16)13-7/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyNUKVGPQEDYWKHM-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.88
Rot. Bonds2

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

6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 113389395) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID113389395
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(F)c1-c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9FN2O3/c1-17-8-4-2-3-6(12)10(8)7-5-9(15)14-11(16)13-7/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyNUKVGPQEDYWKHM-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 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 113389395) is 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1cccc(F)c1-c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is NUKVGPQEDYWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-17-8-4-2-3-6(12)10(8)7-5-9(15)14-11(16)13-7/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione?
6-(2-fluoro-6-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 6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113389395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).