6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione

C18H15F2N3O3 — CID 172636544

IUPAC6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Oc3ncccc3C(F)F)cc2)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H15F2N3O3/c1-10-14(23(2)18(25)22-16(10)24)11-5-7-12(8-6-11)26-17-13(15(19)20)4-3-9-21-17/h3-9,15H,1-2H3,(H,22,24,25)
InChIKeyJGHVQYAKNOKFLD-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.17
Rot. Bonds4

About 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione

6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 172636544) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID172636544
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Oc3ncccc3C(F)F)cc2)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H15F2N3O3/c1-10-14(23(2)18(25)22-16(10)24)11-5-7-12(8-6-11)26-17-13(15(19)20)4-3-9-21-17/h3-9,15H,1-2H3,(H,22,24,25)
InChIKeyJGHVQYAKNOKFLD-UHFFFAOYSA-N
XLogP3.17
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione (CID 172636544) is 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1c(-c2ccc(Oc3ncccc3C(F)F)cc2)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is JGHVQYAKNOKFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-10-14(23(2)18(25)22-16(10)24)11-5-7-12(8-6-11)26-17-13(15(19)20)4-3-9-21-17/h3-9,15H,1-2H3,(H,22,24,25).
What are the key properties of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 359.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 172636544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).