6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione

C17H19FN2O4 — CID 66826611

IUPAC6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(F)cc2CCOC2CCCCO2)[nH]c(=O)[nH]1
InChIInChI=1S/C17H19FN2O4/c18-12-4-5-13(14-10-15(21)20-17(22)19-14)11(9-12)6-8-24-16-3-1-2-7-23-16/h4-5,9-10,16H,1-3,6-8H2,(H2,19,20,21,22)
InChIKeyYDQTWCVCCXQCGZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.96
Rot. Bonds5

About 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione

6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione (PubChem CID 66826611) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione
PubChem CID66826611
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(F)cc2CCOC2CCCCO2)[nH]c(=O)[nH]1
InChIInChI=1S/C17H19FN2O4/c18-12-4-5-13(14-10-15(21)20-17(22)19-14)11(9-12)6-8-24-16-3-1-2-7-23-16/h4-5,9-10,16H,1-3,6-8H2,(H2,19,20,21,22)
InChIKeyYDQTWCVCCXQCGZ-UHFFFAOYSA-N
XLogP1.96
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
CID 124565486
7-fluoro-4-[2-(oxan-2-yloxy)ethoxy]-3-phenyl-2H-isoquinolin-1-one
CID 66819671
2-[2-[(2S)-oxan-2-yl]oxyethylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137152958
2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane
CID 24965213
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
2-[2-(4-bromo-2-chloro-5-methoxyphenyl)ethoxy]oxane
CID 162682281
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
CID 87419221
CID 87419221
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione (CID 66826611) is 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione is O=c1cc(-c2ccc(F)cc2CCOC2CCCCO2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YDQTWCVCCXQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-4-5-13(14-10-15(21)20-17(22)19-14)11(9-12)6-8-24-16-3-1-2-7-23-16/h4-5,9-10,16H,1-3,6-8H2,(H2,19,20,21,22).
What are the key properties of 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione?
6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66826611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).