3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine

C17H12ClF2N3O — CID 141099252

IUPAC3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine
SMILESNc1ncc(-c2ccccc2)nc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C17H12ClF2N3O/c18-15-11(12(19)6-7-13(15)20)9-24-17-16(21)22-8-14(23-17)10-4-2-1-3-5-10/h1-8H,9H2,(H2,21,22)
InChIKeyVGKJPAFAZABIEO-UHFFFAOYSA-N
MW347.75 g/mol
LogP4.24
Rot. Bonds4

About 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine

3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine (PubChem CID 141099252) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine
PubChem CID141099252
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine
SMILESNc1ncc(-c2ccccc2)nc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C17H12ClF2N3O/c18-15-11(12(19)6-7-13(15)20)9-24-17-16(21)22-8-14(23-17)10-4-2-1-3-5-10/h1-8H,9H2,(H2,21,22)
InChIKeyVGKJPAFAZABIEO-UHFFFAOYSA-N
XLogP4.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
CID 69458901
[3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-[(3S)-3-aminopyrrolidin-1-yl]methanone
CID 58886205
[4-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
CID 58886032
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine
CID 141136428
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[3-(diethylaminomethyl)-1H-indol-5-yl]pyrazin-2-amine
CID 21111077
N-[3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-2-morpholin-4-ylethanesulfonamide
CID 58886192
3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 21111126
2-(4-acetylpiperazin-1-yl)-N-[3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]ethanesulfonamide
CID 58886531
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-pyridin-3-ylpyridin-2-amine
CID 21110961
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
2-[4-[5-amino-6-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 91259558
[4-[5-amino-6-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 91190447

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine?
The IUPAC name of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine (CID 141099252) is 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine.
What is the SMILES notation for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine?
The canonical SMILES for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine is Nc1ncc(-c2ccccc2)nc1OCc1c(F)ccc(F)c1Cl.
What is the InChIKey of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine?
The InChIKey is VGKJPAFAZABIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c18-15-11(12(19)6-7-13(15)20)9-24-17-16(21)22-8-14(23-17)10-4-2-1-3-5-10/h1-8H,9H2,(H2,21,22).
What are the key properties of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine?
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine has a molecular weight of 347.75 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine is sourced from PubChem (CID 141099252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).