6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine

C12H13ClN4 — CID 66468007

IUPAC6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
SMILESCN(Cc1ccncc1)c1cncc(CCl)n1
InChIInChI=1S/C12H13ClN4/c1-17(9-10-2-4-14-5-3-10)12-8-15-7-11(6-13)16-12/h2-5,7-8H,6,9H2,1H3
InChIKeyMDCGJORIMROESU-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.25
Rot. Bonds4

About 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine

6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine (PubChem CID 66468007) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
PubChem CID66468007
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
SMILESCN(Cc1ccncc1)c1cncc(CCl)n1
InChIInChI=1S/C12H13ClN4/c1-17(9-10-2-4-14-5-3-10)12-8-15-7-11(6-13)16-12/h2-5,7-8H,6,9H2,1H3
InChIKeyMDCGJORIMROESU-UHFFFAOYSA-N
XLogP2.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.25
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

[6-[methyl(pyridin-4-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467748
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66466186
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66456620
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
[6-[benzyl(methyl)amino]pyrazin-2-yl]methanol
CID 66466595
6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine
CID 79486046
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66451652
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105067321

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine (CID 66468007) is 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine is CN(Cc1ccncc1)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine?
The InChIKey is MDCGJORIMROESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-17(9-10-2-4-14-5-3-10)12-8-15-7-11(6-13)16-12/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine?
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine has a molecular weight of 248.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 66468007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).