5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine

C17H21Cl2N3O2 — CID 22249051

IUPAC5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1OC
InChIInChI=1S/C17H21Cl2N3O2/c1-5-11(6-2)20-15-17(24-4)21-14(16(22-15)23-3)12-8-7-10(18)9-13(12)19/h7-9,11H,5-6H2,1-4H3,(H,20,22)
InChIKeyXGBBOXTWDBQGMS-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.07
Rot. Bonds7

About 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine

5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249051) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249051
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1OC
InChIInChI=1S/C17H21Cl2N3O2/c1-5-11(6-2)20-15-17(24-4)21-14(16(22-15)23-3)12-8-7-10(18)9-13(12)19/h7-9,11H,5-6H2,1-4H3,(H,20,22)
InChIKeyXGBBOXTWDBQGMS-UHFFFAOYSA-N
XLogP5.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine (CID 22249051) is 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1OC.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is XGBBOXTWDBQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-5-11(6-2)20-15-17(24-4)21-14(16(22-15)23-3)12-8-7-10(18)9-13(12)19/h7-9,11H,5-6H2,1-4H3,(H,20,22).
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 370.28 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).