5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine

C17H13ClF2N4O — CID 69458901

IUPAC5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
SMILESNc1ccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)n2)cc1
InChIInChI=1S/C17H13ClF2N4O/c18-15-11(12(19)5-6-13(15)20)8-25-17-16(22)23-7-14(24-17)9-1-3-10(21)4-2-9/h1-7H,8,21H2,(H2,22,23)
InChIKeyCNFGWXVUHQJGJN-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.82
Rot. Bonds4

About 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine

5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine (PubChem CID 69458901) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
PubChem CID69458901
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
SMILESNc1ccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)n2)cc1
InChIInChI=1S/C17H13ClF2N4O/c18-15-11(12(19)5-6-13(15)20)8-25-17-16(22)23-7-14(24-17)9-1-3-10(21)4-2-9/h1-7H,8,21H2,(H2,22,23)
InChIKeyCNFGWXVUHQJGJN-UHFFFAOYSA-N
XLogP3.82
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
The IUPAC name of 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine (CID 69458901) is 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine is Nc1ccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)n2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
The InChIKey is CNFGWXVUHQJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c18-15-11(12(19)5-6-13(15)20)8-25-17-16(22)23-7-14(24-17)9-1-3-10(21)4-2-9/h1-7H,8,21H2,(H2,22,23).
What are the key properties of 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine has a molecular weight of 362.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 69458901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).