2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol

C15H20N4O2 — CID 166278978

IUPAC2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol
SMILESOC1CCN(c2ncnc3[nH]ccc23)CC12CCOCC2
InChIInChI=1S/C15H20N4O2/c20-12-2-6-19(9-15(12)3-7-21-8-4-15)14-11-1-5-16-13(11)17-10-18-14/h1,5,10,12,20H,2-4,6-9H2,(H,16,17,18)
InChIKeyPFUIAMCLFXCGKB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.33
Rot. Bonds1

About 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol

2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol (PubChem CID 166278978) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol
PubChem CID166278978
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol
SMILESOC1CCN(c2ncnc3[nH]ccc23)CC12CCOCC2
InChIInChI=1S/C15H20N4O2/c20-12-2-6-19(9-15(12)3-7-21-8-4-15)14-11-1-5-16-13(11)17-10-18-14/h1,5,10,12,20H,2-4,6-9H2,(H,16,17,18)
InChIKeyPFUIAMCLFXCGKB-UHFFFAOYSA-N
XLogP1.33
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol with MolForge

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Related Compounds

ethane;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 142408683
3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 128731658
N-[(3,3-difluorocyclobutyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 135289860
(2S)-3-hydroxy-2-[[(8S)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl]amino]propanoic acid
CID 135289864
N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 165431568
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943
(3,3-difluorocyclobutyl)methyl (8S)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylate
CID 135303044
N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 153308947
N-[(1S)-1-cyclobutyl-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 153308928
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethenamine;hydrochloride
CID 166509639
N-[[3,3-bis[fluoro(hydroxy)methyl]cyclobutyl]methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 135289854

Frequently Asked Questions

What is the IUPAC name of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol (CID 166278978) is 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol is OC1CCN(c2ncnc3[nH]ccc23)CC12CCOCC2.
What is the InChIKey of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol?
The InChIKey is PFUIAMCLFXCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-12-2-6-19(9-15(12)3-7-21-8-4-15)14-11-1-5-16-13(11)17-10-18-14/h1,5,10,12,20H,2-4,6-9H2,(H,16,17,18).
What are the key properties of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol?
2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol has a molecular weight of 288.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 166278978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).