4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one

C15H24N4O — CID 136742760

IUPAC4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O/c1-2-12-17-13(9-14(20)18-12)19-8-4-6-15(11-19)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3,(H,17,18,20)
InChIKeyWCLSORUMRSVESM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.30
Rot. Bonds2

About 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one

4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136742760) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136742760
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O/c1-2-12-17-13(9-14(20)18-12)19-8-4-6-15(11-19)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3,(H,17,18,20)
InChIKeyWCLSORUMRSVESM-UHFFFAOYSA-N
XLogP1.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136742760) is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is WCLSORUMRSVESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-12-17-13(9-14(20)18-12)19-8-4-6-15(11-19)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3,(H,17,18,20).
What are the key properties of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136742760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).