2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol

C14H22N4O2 — CID 118739115

IUPAC2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
SMILESOCCN1CCOC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H22N4O2/c19-9-7-17-8-10-20-14(11-17)3-1-6-18(12-14)13-15-4-2-5-16-13/h2,4-5,19H,1,3,6-12H2
InChIKeyFRINFGKZJKSLRI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.14
Rot. Bonds3

About 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol

2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 118739115) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
PubChem CID118739115
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
SMILESOCCN1CCOC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H22N4O2/c19-9-7-17-8-10-20-14(11-17)3-1-6-18(12-14)13-15-4-2-5-16-13/h2,4-5,19H,1,3,6-12H2
InChIKeyFRINFGKZJKSLRI-UHFFFAOYSA-N
XLogP0.14
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-pyrimidin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 137659815
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
9-Pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72904527
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
9-(Cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450991
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007
4-(5-Methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739020
4-[[4-(Pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
CID 118739974
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010

Frequently Asked Questions

What is the IUPAC name of 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol (CID 118739115) is 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol is OCCN1CCOC2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is FRINFGKZJKSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-9-7-17-8-10-20-14(11-17)3-1-6-18(12-14)13-15-4-2-5-16-13/h2,4-5,19H,1,3,6-12H2.
What are the key properties of 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol?
2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 278.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 118739115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).