furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C18H22N4O2 — CID 3235213

IUPACfuran-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C18H22N4O2/c23-16(15-3-1-14-24-15)21-10-4-18(5-11-21)6-12-22(13-7-18)17-19-8-2-9-20-17/h1-3,8-9,14H,4-7,10-13H2
InChIKeyZOYMMCDMZBCXKY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.59
Rot. Bonds2

About furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 3235213) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID3235213
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namefuran-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C18H22N4O2/c23-16(15-3-1-14-24-15)21-10-4-18(5-11-21)6-12-22(13-7-18)17-19-8-2-9-20-17/h1-3,8-9,14H,4-7,10-13H2
InChIKeyZOYMMCDMZBCXKY-UHFFFAOYSA-N
XLogP2.59
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 3235213) is furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is O=C(c1ccco1)N1CCC2(CC1)CCN(c1ncccn1)CC2.
What is the InChIKey of furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is ZOYMMCDMZBCXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16(15-3-1-14-24-15)21-10-4-18(5-11-21)6-12-22(13-7-18)17-19-8-2-9-20-17/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 3235213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).