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

C19H17F2N3O4 — CID 86764103

IUPAC6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)
InChIKeyZXIPVZWZRQCIRW-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.15
Rot. Bonds5

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

6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 86764103) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID86764103
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)
InChIKeyZXIPVZWZRQCIRW-UHFFFAOYSA-N
XLogP3.15
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (CID 86764103) is 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C.
What is the InChIKey of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is ZXIPVZWZRQCIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26).
What are the key properties of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 389.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 86764103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).