[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol

C17H25N3O2 — CID 167845572

IUPAC[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol
SMILESOCC1CCC2(CCOCC2)CN1c1ncnc2c1CCC2
InChIInChI=1S/C17H25N3O2/c21-10-13-4-5-17(6-8-22-9-7-17)11-20(13)16-14-2-1-3-15(14)18-12-19-16/h12-13,21H,1-11H2
InChIKeyOWTXIOXNRDGLNV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.72
Rot. Bonds2

About [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol

[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol (PubChem CID 167845572) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol.

Molecular Properties

Compound Name[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol
PubChem CID167845572
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol
SMILESOCC1CCC2(CCOCC2)CN1c1ncnc2c1CCC2
InChIInChI=1S/C17H25N3O2/c21-10-13-4-5-17(6-8-22-9-7-17)11-20(13)16-14-2-1-3-15(14)18-12-19-16/h12-13,21H,1-11H2
InChIKeyOWTXIOXNRDGLNV-UHFFFAOYSA-N
XLogP1.72
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192873
2-(4-(6,7-Dihydro-5h-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)ethan-1-ol
CID 62832069
(1R*,3S*)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 72904752
[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol
CID 95209067
(3R*,4R*)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methyl-1-piperazinyl)-3-piperidinol
CID 56877567
(4-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanol
CID 58458248
1-[4-[[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 53592767
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 55121315
2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
CID 55121316
2-[cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
CID 55121364
8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55237219
[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 56752074

Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
The IUPAC name of [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol (CID 167845572) is [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol.
What is the SMILES notation for [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
The canonical SMILES for [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol is OCC1CCC2(CCOCC2)CN1c1ncnc2c1CCC2.
What is the InChIKey of [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
The InChIKey is OWTXIOXNRDGLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-10-13-4-5-17(6-8-22-9-7-17)11-20(13)16-14-2-1-3-15(14)18-12-19-16/h12-13,21H,1-11H2.
What are the key properties of [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol has a molecular weight of 303.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol is sourced from PubChem (CID 167845572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).