3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C17H19N3O — CID 23607529

IUPAC3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2)CC2CCC(C1)N2c1ncccn1
InChIInChI=1S/C17H19N3O/c21-17(13-5-2-1-3-6-13)11-14-7-8-15(12-17)20(14)16-18-9-4-10-19-16/h1-6,9-10,14-15,21H,7-8,11-12H2
InChIKeyXOOMXWFYJIDQND-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.50
Rot. Bonds2

About 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 23607529) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID23607529
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2)CC2CCC(C1)N2c1ncccn1
InChIInChI=1S/C17H19N3O/c21-17(13-5-2-1-3-6-13)11-14-7-8-15(12-17)20(14)16-18-9-4-10-19-16/h1-6,9-10,14-15,21H,7-8,11-12H2
InChIKeyXOOMXWFYJIDQND-UHFFFAOYSA-N
XLogP2.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
8-(6-methylpyrazin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 154766827
3-phenyl-8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 110218964
(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 98113064
8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957326
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
8-iodo-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 146835871
8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 167929170
8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 126836417
3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957331
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954342

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 23607529) is 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2ccccc2)CC2CCC(C1)N2c1ncccn1.
What is the InChIKey of 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XOOMXWFYJIDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(13-5-2-1-3-6-13)11-14-7-8-15(12-17)20(14)16-18-9-4-10-19-16/h1-6,9-10,14-15,21H,7-8,11-12H2.
What are the key properties of 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 281.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 23607529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).