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

C21H18F3N5O2 — CID 157033103

IUPAC5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccccc1C(F)(F)F.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C8H7F3/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-6-4-2-3-5-7(6)8(9,10)11/h3-7H,1-2H2,(H2,15,16,19,20);2-5H,1H3
InChIKeyOSIULWXXMLVBCC-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.66
Rot. Bonds2

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

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene (PubChem CID 157033103) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene
PubChem CID157033103
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccccc1C(F)(F)F.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C8H7F3/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-6-4-2-3-5-7(6)8(9,10)11/h3-7H,1-2H2,(H2,15,16,19,20);2-5H,1H3
InChIKeyOSIULWXXMLVBCC-UHFFFAOYSA-N
XLogP3.66
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene (CID 157033103) is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene is Cc1ccccc1C(F)(F)F.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;1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is OSIULWXXMLVBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C8H7F3/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-6-4-2-3-5-7(6)8(9,10)11/h3-7H,1-2H2,(H2,15,16,19,20);2-5H,1H3.
What are the key properties of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene?
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 429.40 g/mol, XLogP of 3.66, 2 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;1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 157033103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).