5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine

C11H16F2N4O — CID 174277740

IUPAC5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine
SMILESCN(c1cnc(CN)cn1)C1CC(OC(F)F)C1
InChIInChI=1S/C11H16F2N4O/c1-17(8-2-9(3-8)18-11(12)13)10-6-15-7(4-14)5-16-10/h5-6,8-9,11H,2-4,14H2,1H3
InChIKeyXPUYHMDWOMDOEU-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.14
Rot. Bonds5

About 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine

5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine (PubChem CID 174277740) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine
PubChem CID174277740
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine
SMILESCN(c1cnc(CN)cn1)C1CC(OC(F)F)C1
InChIInChI=1S/C11H16F2N4O/c1-17(8-2-9(3-8)18-11(12)13)10-6-15-7(4-14)5-16-10/h5-6,8-9,11H,2-4,14H2,1H3
InChIKeyXPUYHMDWOMDOEU-UHFFFAOYSA-N
XLogP1.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine (CID 174277740) is 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine is CN(c1cnc(CN)cn1)C1CC(OC(F)F)C1.
What is the InChIKey of 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine?
The InChIKey is XPUYHMDWOMDOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-17(8-2-9(3-8)18-11(12)13)10-6-15-7(4-14)5-16-10/h5-6,8-9,11H,2-4,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine?
5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine has a molecular weight of 258.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-(difluoromethoxy)cyclobutyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 174277740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).