1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone

C16H24N4O3 — CID 91921933

IUPAC1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C16H24N4O3/c1-23-11-14(22)19-7-3-16(4-8-19)12-20(9-13(16)10-21)15-17-5-2-6-18-15/h2,5-6,13,21H,3-4,7-12H2,1H3
InChIKeyXBGIADFYWLEVIF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.16
Rot. Bonds4

About 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone

1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone (PubChem CID 91921933) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
PubChem CID91921933
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C16H24N4O3/c1-23-11-14(22)19-7-3-16(4-8-19)12-20(9-13(16)10-21)15-17-5-2-6-18-15/h2,5-6,13,21H,3-4,7-12H2,1H3
InChIKeyXBGIADFYWLEVIF-UHFFFAOYSA-N
XLogP0.16
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone (CID 91921933) is 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The InChIKey is XBGIADFYWLEVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-11-14(22)19-7-3-16(4-8-19)12-20(9-13(16)10-21)15-17-5-2-6-18-15/h2,5-6,13,21H,3-4,7-12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone?
1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone has a molecular weight of 320.39 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone is sourced from PubChem (CID 91921933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).