5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine

C20H27Cl2N3O2 — CID 53310410

IUPAC5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
SMILESCCc1nc(N(CCOC)CCOC)c(CC)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O2/c1-5-17-19(15-8-7-14(21)13-16(15)22)23-18(6-2)20(24-17)25(9-11-26-3)10-12-27-4/h7-8,13H,5-6,9-12H2,1-4H3
InChIKeyZFCBUMWIIUHNTP-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.67
Rot. Bonds10

About 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine

5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine (PubChem CID 53310410) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
PubChem CID53310410
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
SMILESCCc1nc(N(CCOC)CCOC)c(CC)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O2/c1-5-17-19(15-8-7-14(21)13-16(15)22)23-18(6-2)20(24-17)25(9-11-26-3)10-12-27-4/h7-8,13H,5-6,9-12H2,1-4H3
InChIKeyZFCBUMWIIUHNTP-UHFFFAOYSA-N
XLogP4.67
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine (CID 53310410) is 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine is CCc1nc(N(CCOC)CCOC)c(CC)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine?
The InChIKey is ZFCBUMWIIUHNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c1-5-17-19(15-8-7-14(21)13-16(15)22)23-18(6-2)20(24-17)25(9-11-26-3)10-12-27-4/h7-8,13H,5-6,9-12H2,1-4H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine has a molecular weight of 412.36 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 53310410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).