8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone

C15H17N5O — CID 171948759

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-n2ccnc2)nc1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H17N5O/c21-14(10-5-12-1-2-13(6-10)19-12)11-7-17-15(18-8-11)20-4-3-16-9-20/h3-4,7-10,12-13,19H,1-2,5-6H2
InChIKeyYSUUFNRRPVQGLO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.38
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone (PubChem CID 171948759) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone
PubChem CID171948759
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-n2ccnc2)nc1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H17N5O/c21-14(10-5-12-1-2-13(6-10)19-12)11-7-17-15(18-8-11)20-4-3-16-9-20/h3-4,7-10,12-13,19H,1-2,5-6H2
InChIKeyYSUUFNRRPVQGLO-UHFFFAOYSA-N
XLogP1.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone (CID 171948759) is 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-n2ccnc2)nc1)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone?
The InChIKey is YSUUFNRRPVQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-14(10-5-12-1-2-13(6-10)19-12)11-7-17-15(18-8-11)20-4-3-16-9-20/h3-4,7-10,12-13,19H,1-2,5-6H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 171948759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).