5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine

C25H27Cl2N3O — CID 10127588

IUPAC5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2ccc(OC)cc21
InChIInChI=1S/C25H27Cl2N3O/c1-4-21-24(18-12-10-16(26)13-20(18)27)28-22(5-2)25(29-21)30-23-8-6-7-15-9-11-17(31-3)14-19(15)23/h9-14,23H,4-8H2,1-3H3,(H,29,30)
InChIKeyVBVOJORHWBEKNF-UHFFFAOYSA-N
MW456.42 g/mol
LogP7.07
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine

5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine (PubChem CID 10127588) has the molecular formula C25H27Cl2N3O and a molecular weight of 456.42 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
PubChem CID10127588
Molecular FormulaC25H27Cl2N3O
Molecular Weight456.42 g/mol
Exact Mass455.15
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2ccc(OC)cc21
InChIInChI=1S/C25H27Cl2N3O/c1-4-21-24(18-12-10-16(26)13-20(18)27)28-22(5-2)25(29-21)30-23-8-6-7-15-9-11-17(31-3)14-19(15)23/h9-14,23H,4-8H2,1-3H3,(H,29,30)
InChIKeyVBVOJORHWBEKNF-UHFFFAOYSA-N
XLogP7.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine (CID 10127588) is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2ccc(OC)cc21.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
The InChIKey is VBVOJORHWBEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O/c1-4-21-24(18-12-10-16(26)13-20(18)27)28-22(5-2)25(29-21)30-23-8-6-7-15-9-11-17(31-3)14-19(15)23/h9-14,23H,4-8H2,1-3H3,(H,29,30).
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine has a molecular weight of 456.42 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine is sourced from PubChem (CID 10127588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).