3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C11H8F3N3O3 — CID 10968150

IUPAC3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cn1
InChIInChI=1S/C11H8F3N3O3/c1-20-8-3-2-6(5-15-8)17-9(18)4-7(11(12,13)14)16-10(17)19/h2-5H,1H3,(H,16,19)
InChIKeyMMHDRMGIFLOGNB-UHFFFAOYSA-N
MW287.20 g/mol
LogP0.95
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 10968150) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID10968150
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cn1
InChIInChI=1S/C11H8F3N3O3/c1-20-8-3-2-6(5-15-8)17-9(18)4-7(11(12,13)14)16-10(17)19/h2-5H,1H3,(H,16,19)
InChIKeyMMHDRMGIFLOGNB-UHFFFAOYSA-N
XLogP0.95
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 10968150) is 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is COc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MMHDRMGIFLOGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-20-8-3-2-6(5-15-8)17-9(18)4-7(11(12,13)14)16-10(17)19/h2-5H,1H3,(H,16,19).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 287.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10968150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).