6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine

C14H26N4O — CID 80820303

IUPAC6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine
SMILESCCNc1cncc(N(CCOC)C(CC)CC)n1
InChIInChI=1S/C14H26N4O/c1-5-12(6-2)18(8-9-19-4)14-11-15-10-13(17-14)16-7-3/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyNKFXIRXBCUBEOF-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.55
Rot. Bonds9

About 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine

6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine (PubChem CID 80820303) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine
PubChem CID80820303
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine
SMILESCCNc1cncc(N(CCOC)C(CC)CC)n1
InChIInChI=1S/C14H26N4O/c1-5-12(6-2)18(8-9-19-4)14-11-15-10-13(17-14)16-7-3/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyNKFXIRXBCUBEOF-UHFFFAOYSA-N
XLogP2.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylaminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyrazin-2-amine
CID 66451454
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
[6-[2-methoxyethyl(pentan-3-yl)amino]pyrazin-2-yl]methanol
CID 66466606
2-N-ethyl-2-N-(2-methoxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80808373
6-hydrazinyl-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80900949
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55002889
6-N-ethyl-2-N-(4-methoxybutan-2-yl)pyrazine-2,6-diamine
CID 78916118
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
6-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80964530
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
N-butan-2-yl-N-(2-methoxyethyl)-6-(methylaminomethyl)pyrazin-2-amine
CID 66451443
2-N-ethyl-6-N,6-N-bis(2-methoxyethyl)pyridine-2,6-diamine
CID 80796516

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine (CID 80820303) is 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine is CCNc1cncc(N(CCOC)C(CC)CC)n1.
What is the InChIKey of 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine?
The InChIKey is NKFXIRXBCUBEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-12(6-2)18(8-9-19-4)14-11-15-10-13(17-14)16-7-3/h10-12H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine?
6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine is sourced from PubChem (CID 80820303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).