5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

C19H25F2N3 — CID 22248899

IUPAC5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(F)cc2F)c(CC)nc1NC(CC)CC
InChIInChI=1S/C19H25F2N3/c1-5-13(6-2)22-19-17(8-4)23-18(16(7-3)24-19)14-10-9-12(20)11-15(14)21/h9-11,13H,5-8H2,1-4H3,(H,22,24)
InChIKeyQHSWFCRPJLCPCN-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.15
Rot. Bonds7

About 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22248899) has the molecular formula C19H25F2N3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22248899
Molecular FormulaC19H25F2N3
Molecular Weight333.43 g/mol
Exact Mass333.20
IUPAC Name5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(F)cc2F)c(CC)nc1NC(CC)CC
InChIInChI=1S/C19H25F2N3/c1-5-13(6-2)22-19-17(8-4)23-18(16(7-3)24-19)14-10-9-12(20)11-15(14)21/h9-11,13H,5-8H2,1-4H3,(H,22,24)
InChIKeyQHSWFCRPJLCPCN-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (CID 22248899) is 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(F)cc2F)c(CC)nc1NC(CC)CC.
What is the InChIKey of 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is QHSWFCRPJLCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3/c1-5-13(6-2)22-19-17(8-4)23-18(16(7-3)24-19)14-10-9-12(20)11-15(14)21/h9-11,13H,5-8H2,1-4H3,(H,22,24).
What are the key properties of 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 333.43 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22248899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).