N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C13H19FN4 — CID 112703192

IUPACN-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4/c1-18-11-3-2-4-12(18)6-10(5-11)17-13-15-7-9(14)8-16-13/h7-8,10-12H,2-6H2,1H3,(H,15,16,17)
InChIKeyQIHDARGWFNIWHQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds2

About N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 112703192) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID112703192
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC NameN-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4/c1-18-11-3-2-4-12(18)6-10(5-11)17-13-15-7-9(14)8-16-13/h7-8,10-12H,2-6H2,1H3,(H,15,16,17)
InChIKeyQIHDARGWFNIWHQ-UHFFFAOYSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.04
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
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 104605911
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 66341278
N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115938758
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
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
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
CID 104535034
N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine
CID 126987855
N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106660570
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 112703192) is N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(Nc1ncc(F)cn1)C2.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QIHDARGWFNIWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-18-11-3-2-4-12(18)6-10(5-11)17-13-15-7-9(14)8-16-13/h7-8,10-12H,2-6H2,1H3,(H,15,16,17).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 112703192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).