5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

C25H27Cl2N3 — CID 58583381

IUPAC5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1CC
InChIInChI=1S/C25H27Cl2N3/c1-4-15-13-16-9-7-8-10-18(16)23(15)30-25-22(6-3)28-24(21(5-2)29-25)19-12-11-17(26)14-20(19)27/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,29,30)/t15-,23-/m0/s1
InChIKeyPEGSHMCXDBQAML-WNSKOXEYSA-N
MW440.42 g/mol
LogP7.31
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 58583381) has the molecular formula C25H27Cl2N3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID58583381
Molecular FormulaC25H27Cl2N3
Molecular Weight440.42 g/mol
Exact Mass439.16
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1CC
InChIInChI=1S/C25H27Cl2N3/c1-4-15-13-16-9-7-8-10-18(16)23(15)30-25-22(6-3)28-24(21(5-2)29-25)19-12-11-17(26)14-20(19)27/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,29,30)/t15-,23-/m0/s1
InChIKeyPEGSHMCXDBQAML-WNSKOXEYSA-N
XLogP7.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 58583381) is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1CC.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is PEGSHMCXDBQAML-WNSKOXEYSA-N. The full InChI is InChI=1S/C25H27Cl2N3/c1-4-15-13-16-9-7-8-10-18(16)23(15)30-25-22(6-3)28-24(21(5-2)29-25)19-12-11-17(26)14-20(19)27/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,29,30)/t15-,23-/m0/s1.
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 440.42 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 58583381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).