3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide

C12H20N4O2 — CID 114476137

IUPAC3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1cnc(C)c(C)n1
InChIInChI=1S/C12H20N4O2/c1-9-10(2)16-11(8-15-9)13-5-4-12(17)14-6-7-18-3/h8H,4-7H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyBREGNOGUIIHZEK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.66
Rot. Bonds7

About 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide

3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 114476137) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID114476137
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1cnc(C)c(C)n1
InChIInChI=1S/C12H20N4O2/c1-9-10(2)16-11(8-15-9)13-5-4-12(17)14-6-7-18-3/h8H,4-7H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyBREGNOGUIIHZEK-UHFFFAOYSA-N
XLogP0.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475636
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
CID 114476158
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
CID 106659899
2-[(5,6-dimethylpyrazin-2-yl)amino]-N-ethylacetamide
CID 114475330
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 114562871
N-(2-methoxyethyl)-3-[1-(3-methylpyrazin-2-yl)ethylamino]propanamide
CID 102612509
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide (CID 114476137) is 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1cnc(C)c(C)n1.
What is the InChIKey of 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is BREGNOGUIIHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-10(2)16-11(8-15-9)13-5-4-12(17)14-6-7-18-3/h8H,4-7H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide?
3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114476137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).