3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C15H17N5 — CID 171974564

IUPAC3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3cnc(-n4ccnc4)nc3)CC1CC2
InChIInChI=1S/C15H17N5/c1-19-13-2-3-14(19)7-11(6-13)12-8-17-15(18-9-12)20-5-4-16-10-20/h4-6,8-10,13-14H,2-3,7H2,1H3
InChIKeyNIWGSMLZBZPODT-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.91
Rot. Bonds2

About 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171974564) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171974564
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3cnc(-n4ccnc4)nc3)CC1CC2
InChIInChI=1S/C15H17N5/c1-19-13-2-3-14(19)7-11(6-13)12-8-17-15(18-9-12)20-5-4-16-10-20/h4-6,8-10,13-14H,2-3,7H2,1H3
InChIKeyNIWGSMLZBZPODT-UHFFFAOYSA-N
XLogP1.91
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 171974564) is 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(c3cnc(-n4ccnc4)nc3)CC1CC2.
What is the InChIKey of 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is NIWGSMLZBZPODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-13-2-3-14(19)7-11(6-13)12-8-17-15(18-9-12)20-5-4-16-10-20/h4-6,8-10,13-14H,2-3,7H2,1H3.
What are the key properties of 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 267.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171974564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).