3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine

C13H14I2N4 — CID 155228720

IUPAC3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine
SMILESCN(c1ccc(CI)c(N)n1)c1ncccc1CI
InChIInChI=1S/C13H14I2N4/c1-19(13-10(8-15)3-2-6-17-13)11-5-4-9(7-14)12(16)18-11/h2-6H,7-8H2,1H3,(H2,16,18)
InChIKeyDEZICXQNNPPMGF-UHFFFAOYSA-N
MW480.09 g/mol
LogP3.70
Rot. Bonds4

About 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine

3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine (PubChem CID 155228720) has the molecular formula C13H14I2N4 and a molecular weight of 480.09 g/mol. Its IUPAC name is 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine
PubChem CID155228720
Molecular FormulaC13H14I2N4
Molecular Weight480.09 g/mol
Exact Mass479.93
IUPAC Name3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine
SMILESCN(c1ccc(CI)c(N)n1)c1ncccc1CI
InChIInChI=1S/C13H14I2N4/c1-19(13-10(8-15)3-2-6-17-13)11-5-4-9(7-14)12(16)18-11/h2-6H,7-8H2,1H3,(H2,16,18)
InChIKeyDEZICXQNNPPMGF-UHFFFAOYSA-N
XLogP3.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.09
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine
CID 176973503
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
3-[(2,6-dimethoxyphenyl)methyl]pyridin-2-amine
CID 116811036
6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 47280536
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307
3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458112
chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate
CID 142619302
3-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63878354

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine (CID 155228720) is 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine is CN(c1ccc(CI)c(N)n1)c1ncccc1CI.
What is the InChIKey of 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine?
The InChIKey is DEZICXQNNPPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14I2N4/c1-19(13-10(8-15)3-2-6-17-13)11-5-4-9(7-14)12(16)18-11/h2-6H,7-8H2,1H3,(H2,16,18).
What are the key properties of 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine?
3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine has a molecular weight of 480.09 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 155228720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).