5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine

C26H35Cl2N5O — CID 142964718

IUPAC5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine
SMILESCCO.CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N.c1cncc(N2CCCCC2)c1
InChIInChI=1S/C14H15Cl2N3.C10H14N2.C2H6O/c1-3-11-13(18-12(4-2)14(17)19-11)9-6-5-8(15)7-10(9)16;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-3/h5-7H,3-4H2,1-2H3,(H2,17,19);4-6,9H,1-3,7-8H2;3H,2H2,1H3
InChIKeyJTTLDQYCQCDUGT-UHFFFAOYSA-N
MW504.51 g/mol
LogP6.23
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine

5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine (PubChem CID 142964718) has the molecular formula C26H35Cl2N5O and a molecular weight of 504.51 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine
PubChem CID142964718
Molecular FormulaC26H35Cl2N5O
Molecular Weight504.51 g/mol
Exact Mass503.22
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine
SMILESCCO.CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N.c1cncc(N2CCCCC2)c1
InChIInChI=1S/C14H15Cl2N3.C10H14N2.C2H6O/c1-3-11-13(18-12(4-2)14(17)19-11)9-6-5-8(15)7-10(9)16;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-3/h5-7H,3-4H2,1-2H3,(H2,17,19);4-6,9H,1-3,7-8H2;3H,2H2,1H3
InChIKeyJTTLDQYCQCDUGT-UHFFFAOYSA-N
XLogP6.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane
CID 142247304
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
4-piperidin-1-yl-2-pyridin-3-ylaniline
CID 171118345
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-amine;cyclobutane;N-ethylpyridine-3-carboxamide
CID 154648331
1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine
CID 68705614
(1S,2R)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583269
5-(2,4-dichlorophenyl)-N-[(3R,4S)-4-ethoxy-1-pyrimidin-2-ylpyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
CID 11167686
[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 156865969
5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
CID 53310410
3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 22147412

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine (CID 142964718) is 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine is CCO.CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N.c1cncc(N2CCCCC2)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine?
The InChIKey is JTTLDQYCQCDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3.C10H14N2.C2H6O/c1-3-11-13(18-12(4-2)14(17)19-11)9-6-5-8(15)7-10(9)16;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-3/h5-7H,3-4H2,1-2H3,(H2,17,19);4-6,9H,1-3,7-8H2;3H,2H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine?
5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine has a molecular weight of 504.51 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;3-piperidin-1-ylpyridine is sourced from PubChem (CID 142964718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).