2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine

C11H17IN4 — CID 116648606

IUPAC2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1c1ncc(I)cn1
InChIInChI=1S/C11H17IN4/c12-9-7-14-11(15-8-9)16-6-2-1-3-10(16)4-5-13/h7-8,10H,1-6,13H2
InChIKeyGEWMIFQDORHLTO-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.79
Rot. Bonds3

About 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine

2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine (PubChem CID 116648606) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
PubChem CID116648606
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1c1ncc(I)cn1
InChIInChI=1S/C11H17IN4/c12-9-7-14-11(15-8-9)16-6-2-1-3-10(16)4-5-13/h7-8,10H,1-6,13H2
InChIKeyGEWMIFQDORHLTO-UHFFFAOYSA-N
XLogP1.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.79
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-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
CID 116649552
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 79718017
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
2-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-2-yl]ethanol
CID 116976703

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine (CID 116648606) is 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine is NCCC1CCCCN1c1ncc(I)cn1.
What is the InChIKey of 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine?
The InChIKey is GEWMIFQDORHLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c12-9-7-14-11(15-8-9)16-6-2-1-3-10(16)4-5-13/h7-8,10H,1-6,13H2.
What are the key properties of 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine?
2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine has a molecular weight of 332.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 116648606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).