5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid

C10H15N3O3 — CID 104765944

IUPAC5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCOC(C)(C)CNc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-10(2,16-3)6-13-8-5-11-7(4-12-8)9(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyUBYQHROJDVFBQS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.01
Rot. Bonds5

About 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid

5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 104765944) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
PubChem CID104765944
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCOC(C)(C)CNc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-10(2,16-3)6-13-8-5-11-7(4-12-8)9(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyUBYQHROJDVFBQS-UHFFFAOYSA-N
XLogP1.01
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 122054843
5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
CID 123620674
5-[(2,2-diethyl-4-hydroxybutyl)amino]pyrazine-2-carboxylic acid
CID 122054100
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
CID 122054001
5-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053923
methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
CID 103772184
5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
CID 122055100
5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
CID 107372559
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid (CID 104765944) is 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid is COC(C)(C)CNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is UBYQHROJDVFBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,16-3)6-13-8-5-11-7(4-12-8)9(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 104765944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).