1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone

C15H22N4O2 — CID 97415473

IUPAC1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOc1cc(N2CC[C@]3(CCCN(C(C)=O)C3)C2)ncn1
InChIInChI=1S/C15H22N4O2/c1-12(20)18-6-3-4-15(9-18)5-7-19(10-15)13-8-14(21-2)17-11-16-13/h8,11H,3-7,9-10H2,1-2H3/t15-/m0/s1
InChIKeySHPVUBJVGBRNSJ-HNNXBMFYSA-N
MW290.37 g/mol
LogP1.32
Rot. Bonds2

About 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone

1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone (PubChem CID 97415473) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
PubChem CID97415473
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOc1cc(N2CC[C@]3(CCCN(C(C)=O)C3)C2)ncn1
InChIInChI=1S/C15H22N4O2/c1-12(20)18-6-3-4-15(9-18)5-7-19(10-15)13-8-14(21-2)17-11-16-13/h8,11H,3-7,9-10H2,1-2H3/t15-/m0/s1
InChIKeySHPVUBJVGBRNSJ-HNNXBMFYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone with MolForge

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Related Compounds

(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131656588
(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 136564099
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97483573
(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483578
(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 97483634
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone (CID 97415473) is 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone is COc1cc(N2CC[C@]3(CCCN(C(C)=O)C3)C2)ncn1.
What is the InChIKey of 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is SHPVUBJVGBRNSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(20)18-6-3-4-15(9-18)5-7-19(10-15)13-8-14(21-2)17-11-16-13/h8,11H,3-7,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 97415473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).