8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine

C14H13BrFN5 — CID 80749003

IUPAC8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C14H13BrFN5/c1-2-17-12-8-21-6-5-18-14(21)13(20-12)19-11-4-3-9(16)7-10(11)15/h3-8,17H,2H2,1H3,(H,19,20)
InChIKeyREMXDYGUSSYCPW-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.81
Rot. Bonds4

About 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80749003) has the molecular formula C14H13BrFN5 and a molecular weight of 350.20 g/mol. Its IUPAC name is 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80749003
Molecular FormulaC14H13BrFN5
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C14H13BrFN5/c1-2-17-12-8-21-6-5-18-14(21)13(20-12)19-11-4-3-9(16)7-10(11)15/h3-8,17H,2H2,1H3,(H,19,20)
InChIKeyREMXDYGUSSYCPW-UHFFFAOYSA-N
XLogP3.81
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-N-(5-bromo-2-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80776403
8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80754857
6-N-ethyl-8-N-(2-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80760582
6-N-ethyl-8-N-(2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80747790
8-N-(2-bromo-5-fluorophenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 107639344
8-N-(2-bromo-3-chlorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 103481971
8-N-(4-bromo-3-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80749365
8-N-(4-fluoro-2-methylphenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80762083
8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 107638907
6-bromo-N-(4-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79955945
8-N-(3,4-dichlorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768774
8-N-(2-bromophenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80761144

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80749003) is 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is REMXDYGUSSYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN5/c1-2-17-12-8-21-6-5-18-14(21)13(20-12)19-11-4-3-9(16)7-10(11)15/h3-8,17H,2H2,1H3,(H,19,20).
What are the key properties of 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 350.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-bromo-4-fluorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80749003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).