9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene

C17H24N4 — CID 171974487

IUPAC9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3cnc(N4CCCC4)nc3)CC1CCC2
InChIInChI=1S/C17H24N4/c1-20-15-5-4-6-16(20)10-13(9-15)14-11-18-17(19-12-14)21-7-2-3-8-21/h9,11-12,15-16H,2-8,10H2,1H3
InChIKeyICQGNCVRMRUMNT-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.72
Rot. Bonds2

About 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene

9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171974487) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171974487
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3cnc(N4CCCC4)nc3)CC1CCC2
InChIInChI=1S/C17H24N4/c1-20-15-5-4-6-16(20)10-13(9-15)14-11-18-17(19-12-14)21-7-2-3-8-21/h9,11-12,15-16H,2-8,10H2,1H3
InChIKeyICQGNCVRMRUMNT-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene (CID 171974487) is 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(c3cnc(N4CCCC4)nc3)CC1CCC2.
What is the InChIKey of 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is ICQGNCVRMRUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-15-5-4-6-16(20)10-13(9-15)14-11-18-17(19-12-14)21-7-2-3-8-21/h9,11-12,15-16H,2-8,10H2,1H3.
What are the key properties of 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene?
9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 284.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171974487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).