5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione

C19H15F5N6O3 — CID 174308026

IUPAC5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)cc(N2CC(Oc3cc(C(F)(F)F)ccn3)C(F)(F)C2)n1
InChIInChI=1S/C19H15F5N6O3/c1-9-27-12(11-6-26-17(32)29-16(11)31)5-14(28-9)30-7-13(18(20,21)8-30)33-15-4-10(2-3-25-15)19(22,23)24/h2-6,13H,7-8H2,1H3,(H2,26,29,31,32)
InChIKeyFCUIHOJBBUGUHX-UHFFFAOYSA-N
MW470.36 g/mol
LogP2.15
Rot. Bonds4

About 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione

5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione (PubChem CID 174308026) has the molecular formula C19H15F5N6O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione
PubChem CID174308026
Molecular FormulaC19H15F5N6O3
Molecular Weight470.36 g/mol
Exact Mass470.11
IUPAC Name5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)cc(N2CC(Oc3cc(C(F)(F)F)ccn3)C(F)(F)C2)n1
InChIInChI=1S/C19H15F5N6O3/c1-9-27-12(11-6-26-17(32)29-16(11)31)5-14(28-9)30-7-13(18(20,21)8-30)33-15-4-10(2-3-25-15)19(22,23)24/h2-6,13H,7-8H2,1H3,(H2,26,29,31,32)
InChIKeyFCUIHOJBBUGUHX-UHFFFAOYSA-N
XLogP2.15
TPSA116.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[6-[(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoropyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione
CID 170709438
5-[8-[(4S)-3,3-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032647
5-[8-[3,3-difluoro-4-(4-methylphenoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033889
6-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034001
6-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034403
4-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxy-2-(trifluoromethoxy)benzonitrile
CID 157034255
5-[8-[4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033928
5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 174188354
ethane;5-[3-fluoro-8-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033492
5-[8-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034445
5-[5-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]-1H-pyrimidine-2,4-dione
CID 157033417
5-[8-[8,8-difluoro-2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.4]octan-6-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032977

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione (CID 174308026) is 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione is Cc1nc(-c2c[nH]c(=O)[nH]c2=O)cc(N2CC(Oc3cc(C(F)(F)F)ccn3)C(F)(F)C2)n1.
What is the InChIKey of 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FCUIHOJBBUGUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N6O3/c1-9-27-12(11-6-26-17(32)29-16(11)31)5-14(28-9)30-7-13(18(20,21)8-30)33-15-4-10(2-3-25-15)19(22,23)24/h2-6,13H,7-8H2,1H3,(H2,26,29,31,32).
What are the key properties of 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione?
5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 470.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3,3-difluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174308026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).