furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C16H18N4O2 — CID 3232919

IUPACfuran-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C16H18N4O2/c21-14(13-3-1-10-22-13)19-8-4-16(5-9-19)11-20(12-16)15-17-6-2-7-18-15/h1-3,6-7,10H,4-5,8-9,11-12H2
InChIKeyLEJBBSOMHYOINR-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.81
Rot. Bonds2

About furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 3232919) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID3232919
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namefuran-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C16H18N4O2/c21-14(13-3-1-10-22-13)19-8-4-16(5-9-19)11-20(12-16)15-17-6-2-7-18-15/h1-3,6-7,10H,4-5,8-9,11-12H2
InChIKeyLEJBBSOMHYOINR-UHFFFAOYSA-N
XLogP1.81
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 3232919) is furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is O=C(c1ccco1)N1CCC2(CC1)CN(c1ncccn1)C2.
What is the InChIKey of furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is LEJBBSOMHYOINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14(13-3-1-10-22-13)19-8-4-16(5-9-19)11-20(12-16)15-17-6-2-7-18-15/h1-3,6-7,10H,4-5,8-9,11-12H2.
What are the key properties of furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 3232919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).