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

C13H20N4O — CID 136742766

IUPAC4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(CCCNC3)C2)nc[nH]1
InChIInChI=1S/C13H20N4O/c18-12-7-11(15-10-16-12)17-6-2-4-13(9-17)3-1-5-14-8-13/h7,10,14H,1-6,8-9H2,(H,15,16,18)
InChIKeyCQHZELIPVUGNCH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.74
Rot. Bonds1

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

4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136742766) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
PubChem CID136742766
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(CCCNC3)C2)nc[nH]1
InChIInChI=1S/C13H20N4O/c18-12-7-11(15-10-16-12)17-6-2-4-13(9-17)3-1-5-14-8-13/h7,10,14H,1-6,8-9H2,(H,15,16,18)
InChIKeyCQHZELIPVUGNCH-UHFFFAOYSA-N
XLogP0.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-piperidin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136205542
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733820
2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742759
4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136742760
5-amino-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742761
4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one
CID 136742762
5-bromo-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742763
5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742764
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136742765
4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136742767
4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805332

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one (CID 136742766) is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCCC3(CCCNC3)C2)nc[nH]1.
What is the InChIKey of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is CQHZELIPVUGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-12-7-11(15-10-16-12)17-6-2-4-13(9-17)3-1-5-14-8-13/h7,10,14H,1-6,8-9H2,(H,15,16,18).
What are the key properties of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.74, 1 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 136742766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).