5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine

C26H30ClN3O — CID 23570665

IUPAC5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
SMILESCCc1nc(N(C)C2c3ccccc3CC2OC)c(CC)nc1-c1ccc(C)cc1Cl
InChIInChI=1S/C26H30ClN3O/c1-6-21-24(19-13-12-16(3)14-20(19)27)28-22(7-2)26(29-21)30(4)25-18-11-9-8-10-17(18)15-23(25)31-5/h8-14,23,25H,6-7,15H2,1-5H3
InChIKeyGGQCHDWGLCTZIF-UHFFFAOYSA-N
MW436.00 g/mol
LogP5.98
Rot. Bonds6

About 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine

5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine (PubChem CID 23570665) has the molecular formula C26H30ClN3O and a molecular weight of 436.00 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
PubChem CID23570665
Molecular FormulaC26H30ClN3O
Molecular Weight436.00 g/mol
Exact Mass435.21
IUPAC Name5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
SMILESCCc1nc(N(C)C2c3ccccc3CC2OC)c(CC)nc1-c1ccc(C)cc1Cl
InChIInChI=1S/C26H30ClN3O/c1-6-21-24(19-13-12-16(3)14-20(19)27)28-22(7-2)26(29-21)30(4)25-18-11-9-8-10-17(18)15-23(25)31-5/h8-14,23,25H,6-7,15H2,1-5H3
InChIKeyGGQCHDWGLCTZIF-UHFFFAOYSA-N
XLogP5.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine (CID 23570665) is 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine is CCc1nc(N(C)C2c3ccccc3CC2OC)c(CC)nc1-c1ccc(C)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
The InChIKey is GGQCHDWGLCTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O/c1-6-21-24(19-13-12-16(3)14-20(19)27)28-22(7-2)26(29-21)30(4)25-18-11-9-8-10-17(18)15-23(25)31-5/h8-14,23,25H,6-7,15H2,1-5H3.
What are the key properties of 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine has a molecular weight of 436.00 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 23570665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).