1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione

C18H14F3N3O3 — CID 155095755

IUPAC1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H14F3N3O3/c1-10-14(24(2)17(26)23-15(10)25)11-5-7-12(8-6-11)27-16-13(18(19,20)21)4-3-9-22-16/h3-9H,1-2H3,(H,23,25,26)
InChIKeyDODDZFNZUMWYQE-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.26
Rot. Bonds3

About 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione

1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione (PubChem CID 155095755) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione
PubChem CID155095755
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H14F3N3O3/c1-10-14(24(2)17(26)23-15(10)25)11-5-7-12(8-6-11)27-16-13(18(19,20)21)4-3-9-22-16/h3-9H,1-2H3,(H,23,25,26)
InChIKeyDODDZFNZUMWYQE-UHFFFAOYSA-N
XLogP3.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione (CID 155095755) is 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione is Cc1c(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione?
The InChIKey is DODDZFNZUMWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-10-14(24(2)17(26)23-15(10)25)11-5-7-12(8-6-11)27-16-13(18(19,20)21)4-3-9-22-16/h3-9H,1-2H3,(H,23,25,26).
What are the key properties of 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione?
1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione has a molecular weight of 377.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 155095755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).