2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O3 — CID 70731386

IUPAC2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O3/c1-3-21-11-18(7-5-15(21)23)6-4-8-22(12-18)16(24)9-14-10-19-13(2)20-17(14)25/h10H,3-9,11-12H2,1-2H3,(H,19,20,25)
InChIKeyJNNYHSJGEKSIQG-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.87
Rot. Bonds3

About 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70731386) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70731386
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O3/c1-3-21-11-18(7-5-15(21)23)6-4-8-22(12-18)16(24)9-14-10-19-13(2)20-17(14)25/h10H,3-9,11-12H2,1-2H3,(H,19,20,25)
InChIKeyJNNYHSJGEKSIQG-UHFFFAOYSA-N
XLogP0.87
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70731386) is 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JNNYHSJGEKSIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-21-11-18(7-5-15(21)23)6-4-8-22(12-18)16(24)9-14-10-19-13(2)20-17(14)25/h10H,3-9,11-12H2,1-2H3,(H,19,20,25).
What are the key properties of 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70731386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).