5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

C18H15Cl2FN4O — CID 69460004

IUPAC5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nc(-c2ccc(N)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H15Cl2FN4O/c1-9(15-12(19)6-7-13(21)16(15)20)26-18-17(23)24-8-14(25-18)10-2-4-11(22)5-3-10/h2-9H,22H2,1H3,(H2,23,24)
InChIKeyBLEIGEDAVXUBEA-UHFFFAOYSA-N
MW393.25 g/mol
LogP4.89
Rot. Bonds4

About 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (PubChem CID 69460004) has the molecular formula C18H15Cl2FN4O and a molecular weight of 393.25 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
PubChem CID69460004
Molecular FormulaC18H15Cl2FN4O
Molecular Weight393.25 g/mol
Exact Mass392.06
IUPAC Name5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nc(-c2ccc(N)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H15Cl2FN4O/c1-9(15-12(19)6-7-13(21)16(15)20)26-18-17(23)24-8-14(25-18)10-2-4-11(22)5-3-10/h2-9H,22H2,1H3,(H2,23,24)
InChIKeyBLEIGEDAVXUBEA-UHFFFAOYSA-N
XLogP4.89
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 54.89
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'}

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Related Compounds

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine
CID 141136428
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
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
5-(4-aminophenyl)-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
CID 69458901
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
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
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
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-pyrrolidin-1-ylethanesulfonamide
CID 58885744
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 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The IUPAC name of 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (CID 69460004) is 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is CC(Oc1nc(-c2ccc(N)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The InChIKey is BLEIGEDAVXUBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4O/c1-9(15-12(19)6-7-13(21)16(15)20)26-18-17(23)24-8-14(25-18)10-2-4-11(22)5-3-10/h2-9H,22H2,1H3,(H2,23,24).
What are the key properties of 5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
5-(4-aminophenyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine has a molecular weight of 393.25 g/mol, XLogP of 4.89, 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-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 69460004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).