5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C16H18N6O2 — CID 166827575

IUPAC5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1
InChIInChI=1S/C16H18N6O2/c1-10-2-5-21(6-3-10)13-8-12(20-22-7-4-17-14(13)22)11-9-18-16(24)19-15(11)23/h4,7-10H,2-3,5-6H2,1H3,(H2,18,19,23,24)
InChIKeyMRZZOTNGMLMHDZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.01
Rot. Bonds2

About 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166827575) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID166827575
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1
InChIInChI=1S/C16H18N6O2/c1-10-2-5-21(6-3-10)13-8-12(20-22-7-4-17-14(13)22)11-9-18-16(24)19-15(11)23/h4,7-10H,2-3,5-6H2,1H3,(H2,18,19,23,24)
InChIKeyMRZZOTNGMLMHDZ-UHFFFAOYSA-N
XLogP1.01
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 166827575) is 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is CC1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1.
What is the InChIKey of 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MRZZOTNGMLMHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-2-5-21(6-3-10)13-8-12(20-22-7-4-17-14(13)22)11-9-18-16(24)19-15(11)23/h4,7-10H,2-3,5-6H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 326.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166827575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).