2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine

C12H19IN4 — CID 116648613

IUPAC2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C12H19IN4/c1-14-5-2-10-3-6-17(7-4-10)12-15-8-11(13)9-16-12/h8-10,14H,2-7H2,1H3
InChIKeyWHROIWISWKICFF-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.91
Rot. Bonds4

About 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine

2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine (PubChem CID 116648613) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
PubChem CID116648613
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC Name2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C12H19IN4/c1-14-5-2-10-3-6-17(7-4-10)12-15-8-11(13)9-16-12/h8-10,14H,2-7H2,1H3
InChIKeyWHROIWISWKICFF-UHFFFAOYSA-N
XLogP1.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.91
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

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
2-[1-(5-iodopyrimidin-4-yl)piperidin-4-yl]-N-methylethanamine
CID 66321092
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
CID 104839991
2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
CID 105363020
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 115975402
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 103582806
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072
N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 116649438

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine (CID 116648613) is 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(c2ncc(I)cn2)CC1.
What is the InChIKey of 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is WHROIWISWKICFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4/c1-14-5-2-10-3-6-17(7-4-10)12-15-8-11(13)9-16-12/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 346.22 g/mol, XLogP of 1.91, 4 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-4-yl]-N-methylethanamine is sourced from PubChem (CID 116648613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).