2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol

C16H26N4O2 — CID 74247507

IUPAC2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol
SMILESOCCN1CCC2(CC1)CCN(c1ncccn1)CC2CO
InChIInChI=1S/C16H26N4O2/c21-11-10-19-7-2-16(3-8-19)4-9-20(12-14(16)13-22)15-17-5-1-6-18-15/h1,5-6,14,21-22H,2-4,7-13H2
InChIKeyXNJPCHUCGLZATJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.37
Rot. Bonds4

About 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol

2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol (PubChem CID 74247507) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol
PubChem CID74247507
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol
SMILESOCCN1CCC2(CC1)CCN(c1ncccn1)CC2CO
InChIInChI=1S/C16H26N4O2/c21-11-10-19-7-2-16(3-8-19)4-9-20(12-14(16)13-22)15-17-5-1-6-18-15/h1,5-6,14,21-22H,2-4,7-13H2
InChIKeyXNJPCHUCGLZATJ-UHFFFAOYSA-N
XLogP0.37
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol (CID 74247507) is 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol is OCCN1CCC2(CC1)CCN(c1ncccn1)CC2CO.
What is the InChIKey of 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
The InChIKey is XNJPCHUCGLZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-11-10-19-7-2-16(3-8-19)4-9-20(12-14(16)13-22)15-17-5-1-6-18-15/h1,5-6,14,21-22H,2-4,7-13H2.
What are the key properties of 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol has a molecular weight of 306.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-9-yl]ethanol is sourced from PubChem (CID 74247507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).