3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C22H21F3N2O4 — CID 171984828

IUPAC3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC)c1
InChIInChI=1S/C22H21F3N2O4/c1-4-14-5-6-15(18(11-14)30-3)13-31-17-9-7-16(8-10-17)27-20(28)12-19(22(23,24)25)26(2)21(27)29/h5-12H,4,13H2,1-3H3
InChIKeyNUJKVCTUDUUCAQ-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.70
Rot. Bonds6

About 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 171984828) has the molecular formula C22H21F3N2O4 and a molecular weight of 434.41 g/mol. Its IUPAC name is 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID171984828
Molecular FormulaC22H21F3N2O4
Molecular Weight434.41 g/mol
Exact Mass434.15
IUPAC Name3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC)c1
InChIInChI=1S/C22H21F3N2O4/c1-4-14-5-6-15(18(11-14)30-3)13-31-17-9-7-16(8-10-17)27-20(28)12-19(22(23,24)25)26(2)21(27)29/h5-12H,4,13H2,1-3H3
InChIKeyNUJKVCTUDUUCAQ-UHFFFAOYSA-N
XLogP3.70
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 171984828) is 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC)c1.
What is the InChIKey of 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is NUJKVCTUDUUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4/c1-4-14-5-6-15(18(11-14)30-3)13-31-17-9-7-16(8-10-17)27-20(28)12-19(22(23,24)25)26(2)21(27)29/h5-12H,4,13H2,1-3H3.
What are the key properties of 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 434.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethyl-2-methoxyphenyl)methoxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 171984828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).