[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone

C17H26N4O3 — CID 91922261

IUPAC[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCOCCN1CC(CO)C2(CCN(C(=O)c3ncccn3)CC2)C1
InChIInChI=1S/C17H26N4O3/c1-24-10-9-20-11-14(12-22)17(13-20)3-7-21(8-4-17)16(23)15-18-5-2-6-19-15/h2,5-6,14,22H,3-4,7-13H2,1H3
InChIKeyNKCTZPFSONXTID-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.27
Rot. Bonds5

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

[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (PubChem CID 91922261) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
PubChem CID91922261
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCOCCN1CC(CO)C2(CCN(C(=O)c3ncccn3)CC2)C1
InChIInChI=1S/C17H26N4O3/c1-24-10-9-20-11-14(12-22)17(13-20)3-7-21(8-4-17)16(23)15-18-5-2-6-19-15/h2,5-6,14,22H,3-4,7-13H2,1H3
InChIKeyNKCTZPFSONXTID-UHFFFAOYSA-N
XLogP0.27
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (CID 91922261) is [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is COCCN1CC(CO)C2(CCN(C(=O)c3ncccn3)CC2)C1.
What is the InChIKey of [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The InChIKey is NKCTZPFSONXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-10-9-20-11-14(12-22)17(13-20)3-7-21(8-4-17)16(23)15-18-5-2-6-19-15/h2,5-6,14,22H,3-4,7-13H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 91922261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).