5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine

C13H15ClN4 — CID 107373359

IUPAC5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
SMILESCN(CCc1ccncc1)c1cnc(CCl)cn1
InChIInChI=1S/C13H15ClN4/c1-18(7-4-11-2-5-15-6-3-11)13-10-16-12(8-14)9-17-13/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyFFJITVHGNMLWAR-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.29
Rot. Bonds5

About 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine

5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine (PubChem CID 107373359) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
PubChem CID107373359
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
SMILESCN(CCc1ccncc1)c1cnc(CCl)cn1
InChIInChI=1S/C13H15ClN4/c1-18(7-4-11-2-5-15-6-3-11)13-10-16-12(8-14)9-17-13/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyFFJITVHGNMLWAR-UHFFFAOYSA-N
XLogP2.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62284014
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285067
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine (CID 107373359) is 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine is CN(CCc1ccncc1)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
The InChIKey is FFJITVHGNMLWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18(7-4-11-2-5-15-6-3-11)13-10-16-12(8-14)9-17-13/h2-3,5-6,9-10H,4,7-8H2,1H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine is sourced from PubChem (CID 107373359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).