N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

C11H20N4O — CID 83029881

IUPACN'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1nc(C)cnc1C
InChIInChI=1S/C11H20N4O/c1-9-8-14-10(2)11(15-9)13-5-4-12-6-7-16-3/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyRFQWXMAOBOYMDZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.74
Rot. Bonds7

About N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 83029881) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID83029881
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1nc(C)cnc1C
InChIInChI=1S/C11H20N4O/c1-9-8-14-10(2)11(15-9)13-5-4-12-6-7-16-3/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyRFQWXMAOBOYMDZ-UHFFFAOYSA-N
XLogP0.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.74
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'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
CID 62659686
N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
CID 61019786
N-(2-chloro-3-methoxypropyl)-3,6-dimethylpyrazin-2-amine
CID 65027505
3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
CID 133469573
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114134141
N-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]-2-fluorobenzamide
CID 133468407
N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83030077
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 83029881) is N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNc1nc(C)cnc1C.
What is the InChIKey of N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is RFQWXMAOBOYMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-8-14-10(2)11(15-9)13-5-4-12-6-7-16-3/h8,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 83029881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).