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

C19H17F2N3O3 — CID 172636543

IUPAC6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione
SMILESCCn1c(-c2ccc(Oc3ncccc3C(F)F)cc2)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H17F2N3O3/c1-3-24-15(11(2)17(25)23-19(24)26)12-6-8-13(9-7-12)27-18-14(16(20)21)5-4-10-22-18/h4-10,16H,3H2,1-2H3,(H,23,25,26)
InChIKeyHEOSBLIXNZADTA-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.66
Rot. Bonds5

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

6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione (PubChem CID 172636543) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione
PubChem CID172636543
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione
SMILESCCn1c(-c2ccc(Oc3ncccc3C(F)F)cc2)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H17F2N3O3/c1-3-24-15(11(2)17(25)23-19(24)26)12-6-8-13(9-7-12)27-18-14(16(20)21)5-4-10-22-18/h4-10,16H,3H2,1-2H3,(H,23,25,26)
InChIKeyHEOSBLIXNZADTA-UHFFFAOYSA-N
XLogP3.66
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.66
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-ethyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione (CID 172636543) is 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione is CCn1c(-c2ccc(Oc3ncccc3C(F)F)cc2)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione?
The InChIKey is HEOSBLIXNZADTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-3-24-15(11(2)17(25)23-19(24)26)12-6-8-13(9-7-12)27-18-14(16(20)21)5-4-10-22-18/h4-10,16H,3H2,1-2H3,(H,23,25,26).
What are the key properties of 6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione?
6-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]phenyl]-1-ethyl-5-methylpyrimidine-2,4-dione has a molecular weight of 373.36 g/mol, XLogP of 3.66, 5 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-ethyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 172636543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).