8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C16H24N4O — CID 136879118

IUPAC8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H24N4O/c21-14(13-12-20-9-3-8-17-15(20)18-13)19-10-6-16(7-11-19)4-1-2-5-16/h12H,1-11H2,(H,17,18)
InChIKeyJVHGFHPGQVKNRP-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.50
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136879118) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136879118
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2c(n1)NCCC2)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H24N4O/c21-14(13-12-20-9-3-8-17-15(20)18-13)19-10-6-16(7-11-19)4-1-2-5-16/h12H,1-11H2,(H,17,18)
InChIKeyJVHGFHPGQVKNRP-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136879118) is 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is O=C(c1cn2c(n1)NCCC2)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is JVHGFHPGQVKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-14(13-12-20-9-3-8-17-15(20)18-13)19-10-6-16(7-11-19)4-1-2-5-16/h12H,1-11H2,(H,17,18).
What are the key properties of 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 288.40 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136879118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).