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

C18H14F3N7O2 — CID 157033131

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C5H3F3N2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;6-5(7,8)4-1-9-3-10-2-4/h3-7H,1-2H2,(H2,15,16,19,20);1-3H
InChIKeyUWIUAQXROXPPIW-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.15
Rot. Bonds2

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

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine (PubChem CID 157033131) has the molecular formula C18H14F3N7O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine
PubChem CID157033131
Molecular FormulaC18H14F3N7O2
Molecular Weight417.35 g/mol
Exact Mass417.12
IUPAC Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C5H3F3N2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;6-5(7,8)4-1-9-3-10-2-4/h3-7H,1-2H2,(H2,15,16,19,20);1-3H
InChIKeyUWIUAQXROXPPIW-UHFFFAOYSA-N
XLogP2.15
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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;5-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine (CID 157033131) is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cncnc1.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;5-(trifluoromethyl)pyrimidine?
The InChIKey is UWIUAQXROXPPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C5H3F3N2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;6-5(7,8)4-1-9-3-10-2-4/h3-7H,1-2H2,(H2,15,16,19,20);1-3H.
What are the key properties of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine?
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine has a molecular weight of 417.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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;5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157033131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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