5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine

C12H20ClN3 — CID 107373417

IUPAC5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine
SMILESCC(C)CC(C)N(C)c1cnc(CCl)cn1
InChIInChI=1S/C12H20ClN3/c1-9(2)5-10(3)16(4)12-8-14-11(6-13)7-15-12/h7-10H,5-6H2,1-4H3
InChIKeyFHGHLPVZGTYYNP-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.09
Rot. Bonds5

About 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine

5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine (PubChem CID 107373417) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine
PubChem CID107373417
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine
SMILESCC(C)CC(C)N(C)c1cnc(CCl)cn1
InChIInChI=1S/C12H20ClN3/c1-9(2)5-10(3)16(4)12-8-14-11(6-13)7-15-12/h7-10H,5-6H2,1-4H3
InChIKeyFHGHLPVZGTYYNP-UHFFFAOYSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine (CID 107373417) is 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine is CC(C)CC(C)N(C)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine?
The InChIKey is FHGHLPVZGTYYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(2)5-10(3)16(4)12-8-14-11(6-13)7-15-12/h7-10H,5-6H2,1-4H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine?
5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 107373417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).