N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C13H19ClN4 — CID 65472809

IUPACN-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ccnc(Cl)n1)C2
InChIInChI=1S/C13H19ClN4/c1-18-10-3-2-4-11(18)8-9(7-10)16-12-5-6-15-13(14)17-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16,17)
InChIKeyPQFIIMBCNXHEHU-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.56
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472809) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472809
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ccnc(Cl)n1)C2
InChIInChI=1S/C13H19ClN4/c1-18-10-3-2-4-11(18)8-9(7-10)16-12-5-6-15-13(14)17-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16,17)
InChIKeyPQFIIMBCNXHEHU-UHFFFAOYSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dichloropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 155715390
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
CID 65472964
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80847043
6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 65472615
N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
CID 130701603
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385674
6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80828694

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472809) is N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(Nc1ccnc(Cl)n1)C2.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is PQFIIMBCNXHEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-18-10-3-2-4-11(18)8-9(7-10)16-12-5-6-15-13(14)17-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 266.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).