8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

C18H21N3O — CID 3228658

IUPAC8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccnc(N2C3CCC2CC(O)(c2ccccc2)C3)n1
InChIInChI=1S/C18H21N3O/c1-13-9-10-19-17(20-13)21-15-7-8-16(21)12-18(22,11-15)14-5-3-2-4-6-14/h2-6,9-10,15-16,22H,7-8,11-12H2,1H3
InChIKeyVJQMHZNBFRZRLV-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.80
Rot. Bonds2

About 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 3228658) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID3228658
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccnc(N2C3CCC2CC(O)(c2ccccc2)C3)n1
InChIInChI=1S/C18H21N3O/c1-13-9-10-19-17(20-13)21-15-7-8-16(21)12-18(22,11-15)14-5-3-2-4-6-14/h2-6,9-10,15-16,22H,7-8,11-12H2,1H3
InChIKeyVJQMHZNBFRZRLV-UHFFFAOYSA-N
XLogP2.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (CID 3228658) is 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccnc(N2C3CCC2CC(O)(c2ccccc2)C3)n1.
What is the InChIKey of 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VJQMHZNBFRZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-9-10-19-17(20-13)21-15-7-8-16(21)12-18(22,11-15)14-5-3-2-4-6-14/h2-6,9-10,15-16,22H,7-8,11-12H2,1H3.
What are the key properties of 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 295.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 3228658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).