5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine

C22H33N5O2 — CID 90766313

IUPAC5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine
SMILESCCCCCOc1nc(CC)c(-c2ccc(N3CCOCC3)nc2C)nc1NC
InChIInChI=1S/C22H33N5O2/c1-5-7-8-13-29-22-21(23-4)26-20(18(6-2)25-22)17-9-10-19(24-16(17)3)27-11-14-28-15-12-27/h9-10H,5-8,11-15H2,1-4H3,(H,23,26)
InChIKeyQEGMOZBDTIDROA-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.86
Rot. Bonds9

About 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine

5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine (PubChem CID 90766313) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine
PubChem CID90766313
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine
SMILESCCCCCOc1nc(CC)c(-c2ccc(N3CCOCC3)nc2C)nc1NC
InChIInChI=1S/C22H33N5O2/c1-5-7-8-13-29-22-21(23-4)26-20(18(6-2)25-22)17-9-10-19(24-16(17)3)27-11-14-28-15-12-27/h9-10H,5-8,11-15H2,1-4H3,(H,23,26)
InChIKeyQEGMOZBDTIDROA-UHFFFAOYSA-N
XLogP3.86
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
CID 134108728
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-pentoxybenzamide
CID 122295213
6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
CID 133421395
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
2-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
CID 102544178
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
CID 112944097
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine (CID 90766313) is 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine is CCCCCOc1nc(CC)c(-c2ccc(N3CCOCC3)nc2C)nc1NC.
What is the InChIKey of 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine?
The InChIKey is QEGMOZBDTIDROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-5-7-8-13-29-22-21(23-4)26-20(18(6-2)25-22)17-9-10-19(24-16(17)3)27-11-14-28-15-12-27/h9-10H,5-8,11-15H2,1-4H3,(H,23,26).
What are the key properties of 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine?
5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine has a molecular weight of 399.54 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-3-pentoxypyrazin-2-amine is sourced from PubChem (CID 90766313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).