2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine

C12H22N4O2 — CID 80806190

IUPAC2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(N(CCCOC)CCOC)n1
InChIInChI=1S/C12H22N4O2/c1-13-11-9-14-10-12(15-11)16(6-8-18-3)5-4-7-17-2/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeySFTDRBAAOTWPNN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.01
Rot. Bonds9

About 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine

2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine (PubChem CID 80806190) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine
PubChem CID80806190
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(N(CCCOC)CCOC)n1
InChIInChI=1S/C12H22N4O2/c1-13-11-9-14-10-12(15-11)16(6-8-18-3)5-4-7-17-2/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeySFTDRBAAOTWPNN-UHFFFAOYSA-N
XLogP1.01
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine (CID 80806190) is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine is CNc1cncc(N(CCCOC)CCOC)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine?
The InChIKey is SFTDRBAAOTWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-13-11-9-14-10-12(15-11)16(6-8-18-3)5-4-7-17-2/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine?
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80806190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).