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

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

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Related Compounds

tert-butyl 3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171969463
2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
CID 171974754
3-(2-imidazol-1-ylpyrimidin-5-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171974564
8-benzyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171970136
9-methyl-3-(1-phenylpyrazol-4-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974333
8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 22143387
3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171972376
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973574
3-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973439
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
tert-butyl 3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate
CID 171972602

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).