N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C13H19IN4 — CID 66341278

IUPACN-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ncncc1I)C2
InChIInChI=1S/C13H19IN4/c1-18-10-3-2-4-11(18)6-9(5-10)17-13-12(14)7-15-8-16-13/h7-11H,2-6H2,1H3,(H,15,16,17)
InChIKeyOAGRZFWGGMVWIA-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.51
Rot. Bonds2

About N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 66341278) has the molecular formula C13H19IN4 and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID66341278
Molecular FormulaC13H19IN4
Molecular Weight358.23 g/mol
Exact Mass358.07
IUPAC NameN-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ncncc1I)C2
InChIInChI=1S/C13H19IN4/c1-18-10-3-2-4-11(18)6-9(5-10)17-13-12(14)7-15-8-16-13/h7-11H,2-6H2,1H3,(H,15,16,17)
InChIKeyOAGRZFWGGMVWIA-UHFFFAOYSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110333
4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66341197
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66339901
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
N-(1-cyclopentylethyl)-5-iodopyrimidin-4-amine
CID 66341039
5-iodo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130655835
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
CID 104535034
N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
CID 114504858
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385674
N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66343239
[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106361969

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 66341278) is N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(Nc1ncncc1I)C2.
What is the InChIKey of N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is OAGRZFWGGMVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN4/c1-18-10-3-2-4-11(18)6-9(5-10)17-13-12(14)7-15-8-16-13/h7-11H,2-6H2,1H3,(H,15,16,17).
What are the key properties of N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 358.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 66341278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).