3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide

C12H21N5O — CID 62684039

IUPAC3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCOC)CC(C)C
InChIInChI=1S/C12H21N5O/c1-9(2)8-17(6-7-18-3)12-10(11(13)14)15-4-5-16-12/h4-5,9H,6-8H2,1-3H3,(H3,13,14)
InChIKeyYMVVETGNUCRQMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.87
Rot. Bonds7

About 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide

3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide (PubChem CID 62684039) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
PubChem CID62684039
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCOC)CC(C)C
InChIInChI=1S/C12H21N5O/c1-9(2)8-17(6-7-18-3)12-10(11(13)14)15-4-5-16-12/h4-5,9H,6-8H2,1-3H3,(H3,13,14)
InChIKeyYMVVETGNUCRQMO-UHFFFAOYSA-N
XLogP0.87
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
CID 55227879
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
2-[2-methoxyethyl(2-methylpropyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768958
3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide
CID 62685407
3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
CID 62684546
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
CID 103189183
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide (CID 62684039) is 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(CCOC)CC(C)C.
What is the InChIKey of 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide?
The InChIKey is YMVVETGNUCRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)8-17(6-7-18-3)12-10(11(13)14)15-4-5-16-12/h4-5,9H,6-8H2,1-3H3,(H3,13,14).
What are the key properties of 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide?
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide has a molecular weight of 251.33 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 62684039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).