methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate

C13H21N3O2 — CID 62004934

IUPACmethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc(C)cnc1C)C(=O)OC
InChIInChI=1S/C13H21N3O2/c1-6-7-13(4,12(17)18-5)16-11-10(3)14-8-9(2)15-11/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyJMJBJNSWOXGRLX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate

methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate (PubChem CID 62004934) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate
PubChem CID62004934
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc(C)cnc1C)C(=O)OC
InChIInChI=1S/C13H21N3O2/c1-6-7-13(4,12(17)18-5)16-11-10(3)14-8-9(2)15-11/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyJMJBJNSWOXGRLX-UHFFFAOYSA-N
XLogP2.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-4-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pentanoate
CID 166284171
tert-butyl (2R)-2-[[5-(difluoromethyl)pyrazin-2-yl]amino]-3-methylbutanoate
CID 166400360
CID 156741031
CID 156741031
2-Amino-3-methyl-2-[(6-methylpyrazin-2-yl)amino]heptanoic acid
CID 169795049
Butyl 2-amino-2-[(6-methylpyrazin-2-yl)amino]butanoate
CID 169795052
(2S)-5,5-dimethyl-2-[(5-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210153
(2S)-5,5-dimethyl-2-[(6-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210157
(2S)-5,5-dimethyl-2-[(3-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210172
2-[(6-Methylpyrazin-2-yl)amino]butanoic acid
CID 175697889
Tert-butyl 2-[(5-methylpyrazin-2-yl)amino]acetate
CID 178848619
Methyl 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpentanoate
CID 55104357
2-[(3-Cyanopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 55104823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate (CID 62004934) is methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate is CCCC(C)(Nc1nc(C)cnc1C)C(=O)OC.
What is the InChIKey of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate?
The InChIKey is JMJBJNSWOXGRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-7-13(4,12(17)18-5)16-11-10(3)14-8-9(2)15-11/h8H,6-7H2,1-5H3,(H,15,16).
What are the key properties of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate?
methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 62004934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).