2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone

C15H22N4O2 — CID 3235433

IUPAC2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H22N4O2/c1-21-10-13(20)18-8-2-4-15(11-18)5-9-19(12-15)14-16-6-3-7-17-14/h3,6-7H,2,4-5,8-12H2,1H3/t15-/m1/s1
InChIKeyKRGAJFGMAHYAOE-OAHLLOKOSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds3

About 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone

2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone (PubChem CID 3235433) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
PubChem CID3235433
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H22N4O2/c1-21-10-13(20)18-8-2-4-15(11-18)5-9-19(12-15)14-16-6-3-7-17-14/h3,6-7H,2,4-5,8-12H2,1H3/t15-/m1/s1
InChIKeyKRGAJFGMAHYAOE-OAHLLOKOSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone (CID 3235433) is 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone is COCC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is KRGAJFGMAHYAOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-10-13(20)18-8-2-4-15(11-18)5-9-19(12-15)14-16-6-3-7-17-14/h3,6-7H,2,4-5,8-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 3235433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).