7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

C16H18N4O2 — CID 118741057

IUPAC7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(Cc3ccoc3)C2)CN1c1cncnc1
InChIInChI=1S/C16H18N4O2/c21-15-5-16(11-20(15)14-6-17-12-18-7-14)2-3-19(10-16)8-13-1-4-22-9-13/h1,4,6-7,9,12H,2-3,5,8,10-11H2
InChIKeyRMECSFACCLOEBG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.70
Rot. Bonds3

About 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118741057) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118741057
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(Cc3ccoc3)C2)CN1c1cncnc1
InChIInChI=1S/C16H18N4O2/c21-15-5-16(11-20(15)14-6-17-12-18-7-14)2-3-19(10-16)8-13-1-4-22-9-13/h1,4,6-7,9,12H,2-3,5,8,10-11H2
InChIKeyRMECSFACCLOEBG-UHFFFAOYSA-N
XLogP1.70
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 118741057) is 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCN(Cc3ccoc3)C2)CN1c1cncnc1.
What is the InChIKey of 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is RMECSFACCLOEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-5-16(11-20(15)14-6-17-12-18-7-14)2-3-19(10-16)8-13-1-4-22-9-13/h1,4,6-7,9,12H,2-3,5,8,10-11H2.
What are the key properties of 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 298.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118741057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).