5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine

C19H25FN4O — CID 90310630

IUPAC5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine
SMILESCN(C)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C19H25FN4O/c1-24(2)9-4-10-25-19-14(13-5-3-6-13)7-8-15(18(19)20)16-11-23-17(21)12-22-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,21,23)
InChIKeyHLLMBEDMIIYOPH-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.46
Rot. Bonds7

About 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine

5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90310630) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90310630
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine
SMILESCN(C)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C19H25FN4O/c1-24(2)9-4-10-25-19-14(13-5-3-6-13)7-8-15(18(19)20)16-11-23-17(21)12-22-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,21,23)
InChIKeyHLLMBEDMIIYOPH-UHFFFAOYSA-N
XLogP3.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine (CID 90310630) is 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine is CN(C)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is HLLMBEDMIIYOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-24(2)9-4-10-25-19-14(13-5-3-6-13)7-8-15(18(19)20)16-11-23-17(21)12-22-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,21,23).
What are the key properties of 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine?
5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 344.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90310630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).