1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one

C16H21N3O2 — CID 106485544

IUPAC1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one
SMILESCNCc1ccccc1Oc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C16H21N3O2/c1-16(2,3)19-10-9-18-14(15(19)20)21-13-8-6-5-7-12(13)11-17-4/h5-10,17H,11H2,1-4H3
InChIKeySBWYIFWDMUKVED-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.51
Rot. Bonds4

About 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one

1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one (PubChem CID 106485544) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one
PubChem CID106485544
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one
SMILESCNCc1ccccc1Oc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C16H21N3O2/c1-16(2,3)19-10-9-18-14(15(19)20)21-13-8-6-5-7-12(13)11-17-4/h5-10,17H,11H2,1-4H3
InChIKeySBWYIFWDMUKVED-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(aminomethyl)-2-chlorophenoxy]-1-tert-butylpyrazin-2-one
CID 62929752
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
3-[[2-(aminomethyl)phenyl]methylamino]-1-tert-butylpyrazin-2-one
CID 62951201
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile
CID 62928301
3-(2-amino-5-chlorophenoxy)-1-tert-butylpyrazin-2-one
CID 62927261
3-(2-amino-2-methylpropoxy)-1-tert-butylpyrazin-2-one
CID 64538802
1-tert-butyl-3-[2-(propylamino)ethoxy]pyrazin-2-one
CID 62928881
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485504
1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485445
1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one
CID 107680512

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one (CID 106485544) is 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one is CNCc1ccccc1Oc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one?
The InChIKey is SBWYIFWDMUKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)19-10-9-18-14(15(19)20)21-13-8-6-5-7-12(13)11-17-4/h5-10,17H,11H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one?
1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one is sourced from PubChem (CID 106485544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).