3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C16H24N4O — CID 176681666

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2n1CCC2
InChIInChI=1S/C16H24N4O/c21-15-13(10-18-14-4-3-8-20(14)15)11-19-9-7-17-12-16(19)5-1-2-6-16/h10,17H,1-9,11-12H2
InChIKeyLQHWGVPCCDEGPZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.91
Rot. Bonds2

About 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 176681666) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID176681666
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2n1CCC2
InChIInChI=1S/C16H24N4O/c21-15-13(10-18-14-4-3-8-20(14)15)11-19-9-7-17-12-16(19)5-1-2-6-16/h10,17H,1-9,11-12H2
InChIKeyLQHWGVPCCDEGPZ-UHFFFAOYSA-N
XLogP0.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 107078368
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride
CID 176681696
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119933264
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one
CID 176681620
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one;hydrochloride
CID 176681619
1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 65317459
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 641889
1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane
CID 166301336
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one
CID 176681895

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 176681666) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)cnc2n1CCC2.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is LQHWGVPCCDEGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15-13(10-18-14-4-3-8-20(14)15)11-19-9-7-17-12-16(19)5-1-2-6-16/h10,17H,1-9,11-12H2.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 288.40 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).