5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene

C20H17F2N5O2 — CID 157034335

IUPAC5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
SMILESFC(F)c1ccccc1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C7H6F2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;8-7(9)6-4-2-1-3-5-6/h3-7H,1-2H2,(H2,15,16,19,20);1-5,7H
InChIKeyLMDHUNREGYCERB-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.27
Rot. Bonds3

About 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene (PubChem CID 157034335) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene.

Molecular Properties

Compound Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
PubChem CID157034335
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
SMILESFC(F)c1ccccc1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C7H6F2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;8-7(9)6-4-2-1-3-5-6/h3-7H,1-2H2,(H2,15,16,19,20);1-5,7H
InChIKeyLMDHUNREGYCERB-UHFFFAOYSA-N
XLogP3.27
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032708
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene
CID 157033103
azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
CID 157032225
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole
CID 157032794
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033222
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;N-(2,2-difluoroethyl)-2-methanimidoylaniline
CID 157033114
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine
CID 157033131
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline
CID 157034934
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033518
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
5-[8-[(1S,2S)-2-(2,3,6-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034380
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane
CID 157032187

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene?
The IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene (CID 157034335) is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene.
What is the SMILES notation for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene?
The canonical SMILES for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene is FC(F)c1ccccc1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene?
The InChIKey is LMDHUNREGYCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C7H6F2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;8-7(9)6-4-2-1-3-5-6/h3-7H,1-2H2,(H2,15,16,19,20);1-5,7H.
What are the key properties of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene?
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene has a molecular weight of 397.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene is sourced from PubChem (CID 157034335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).