3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine

C18H14Cl2FN3O — CID 141136428

IUPAC3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine
SMILESC[C@@H](Oc1nc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN3O/c1-10(15-12(19)7-8-13(21)16(15)20)25-18-17(22)23-9-14(24-18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,22,23)/t10-/m1/s1
InChIKeyOWVWQJRWFDQJMZ-SNVBAGLBSA-N
MW378.23 g/mol
LogP5.31
Rot. Bonds4

About 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine (PubChem CID 141136428) has the molecular formula C18H14Cl2FN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine
PubChem CID141136428
Molecular FormulaC18H14Cl2FN3O
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine
SMILESC[C@@H](Oc1nc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN3O/c1-10(15-12(19)7-8-13(21)16(15)20)25-18-17(22)23-9-14(24-18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,22,23)/t10-/m1/s1
InChIKeyOWVWQJRWFDQJMZ-SNVBAGLBSA-N
XLogP5.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.23
LogP ≤ 55.31
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-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
CID 69460004
5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
CID 21111477
3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 174487797
5-[5-amino-6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 50940375
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-phenylpyrazin-2-amine
CID 141099252
3-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]benzamide
CID 58886411
6-[5-amino-6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 50938639
tert-butyl 4-[4-[5-amino-6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 59627603
6-[5-amino-6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 50938756
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide
CID 174502097
N-[4-[5-amino-6-[1-(2-chloro-3,6-difluorophenyl)ethoxy]pyrazin-2-yl]phenyl]-2-(cyclopropylamino)ethanesulfonamide
CID 58886503

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine?
The IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine (CID 141136428) is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine.
What is the SMILES notation for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine?
The canonical SMILES for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine is C[C@@H](Oc1nc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine?
The InChIKey is OWVWQJRWFDQJMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O/c1-10(15-12(19)7-8-13(21)16(15)20)25-18-17(22)23-9-14(24-18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,22,23)/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine?
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine has a molecular weight of 378.23 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine is sourced from PubChem (CID 141136428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).