3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine

C17H20ClFN4O — CID 126470574

IUPAC3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
SMILESFc1ccc(-c2nccnc2NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C17H20ClFN4O/c18-14-12-13(2-3-15(14)19)16-17(22-6-5-20-16)21-4-1-7-23-8-10-24-11-9-23/h2-3,5-6,12H,1,4,7-11H2,(H,21,22)
InChIKeyADCZWYUMAJKWDI-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.07
Rot. Bonds6

About 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine

3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine (PubChem CID 126470574) has the molecular formula C17H20ClFN4O and a molecular weight of 350.82 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
PubChem CID126470574
Molecular FormulaC17H20ClFN4O
Molecular Weight350.82 g/mol
Exact Mass350.13
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
SMILESFc1ccc(-c2nccnc2NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C17H20ClFN4O/c18-14-12-13(2-3-15(14)19)16-17(22-6-5-20-16)21-4-1-7-23-8-10-24-11-9-23/h2-3,5-6,12H,1,4,7-11H2,(H,21,22)
InChIKeyADCZWYUMAJKWDI-UHFFFAOYSA-N
XLogP3.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.07
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 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine (CID 126470574) is 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine is Fc1ccc(-c2nccnc2NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The InChIKey is ADCZWYUMAJKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c18-14-12-13(2-3-15(14)19)16-17(22-6-5-20-16)21-4-1-7-23-8-10-24-11-9-23/h2-3,5-6,12H,1,4,7-11H2,(H,21,22).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine has a molecular weight of 350.82 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine is sourced from PubChem (CID 126470574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).