5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane

C21H33Cl2N3O — CID 142247304

IUPAC5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane
SMILESCCCCC.CCO.CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N
InChIInChI=1S/C14H15Cl2N3.C5H12.C2H6O/c1-3-11-13(18-12(4-2)14(17)19-11)9-6-5-8(15)7-10(9)16;1-3-5-4-2;1-2-3/h5-7H,3-4H2,1-2H3,(H2,17,19);3-5H2,1-2H3;3H,2H2,1H3
InChIKeyNDMXQDPOHIPGBJ-UHFFFAOYSA-N
MW414.42 g/mol
LogP6.35
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane

5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane (PubChem CID 142247304) has the molecular formula C21H33Cl2N3O and a molecular weight of 414.42 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane
PubChem CID142247304
Molecular FormulaC21H33Cl2N3O
Molecular Weight414.42 g/mol
Exact Mass413.20
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane
SMILESCCCCC.CCO.CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N
InChIInChI=1S/C14H15Cl2N3.C5H12.C2H6O/c1-3-11-13(18-12(4-2)14(17)19-11)9-6-5-8(15)7-10(9)16;1-3-5-4-2;1-2-3/h5-7H,3-4H2,1-2H3,(H2,17,19);3-5H2,1-2H3;3H,2H2,1H3
InChIKeyNDMXQDPOHIPGBJ-UHFFFAOYSA-N
XLogP6.35
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine
CID 142964718
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
CID 53310410
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
(1S,2R)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583269
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
CID 6405156
6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
CID 22372155
3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 22147412
methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate
CID 22147370

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane (CID 142247304) is 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane is CCCCC.CCO.CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane?
The InChIKey is NDMXQDPOHIPGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3.C5H12.C2H6O/c1-3-11-13(18-12(4-2)14(17)19-11)9-6-5-8(15)7-10(9)16;1-3-5-4-2;1-2-3/h5-7H,3-4H2,1-2H3,(H2,17,19);3-5H2,1-2H3;3H,2H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane?
5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane has a molecular weight of 414.42 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane is sourced from PubChem (CID 142247304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).