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

C17H21Cl2N3 — CID 53309695

IUPAC5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H21Cl2N3/c1-5-13(6-2)22-17-11(4)20-16(10(3)21-17)14-8-7-12(18)9-15(14)19/h7-9,13H,5-6H2,1-4H3,(H,21,22)
InChIKeyIGARRFYCLVMEJA-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.67
Rot. Bonds5

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

5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 53309695) has the molecular formula C17H21Cl2N3 and a molecular weight of 338.28 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID53309695
Molecular FormulaC17H21Cl2N3
Molecular Weight338.28 g/mol
Exact Mass337.11
IUPAC Name5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H21Cl2N3/c1-5-13(6-2)22-17-11(4)20-16(10(3)21-17)14-8-7-12(18)9-15(14)19/h7-9,13H,5-6H2,1-4H3,(H,21,22)
InChIKeyIGARRFYCLVMEJA-UHFFFAOYSA-N
XLogP5.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.67
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-dimethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine (CID 53309695) is 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is IGARRFYCLVMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3/c1-5-13(6-2)22-17-11(4)20-16(10(3)21-17)14-8-7-12(18)9-15(14)19/h7-9,13H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 338.28 g/mol, XLogP of 5.67, 5 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-dimethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 53309695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).