6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine

C14H14BrFN4 — CID 121293741

IUPAC6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncn2c1C(N)=NC(C)(c1cc(Br)ccc1F)C2
InChIInChI=1S/C14H14BrFN4/c1-8-12-13(17)19-14(2,6-20(12)7-18-8)10-5-9(15)3-4-11(10)16/h3-5,7H,6H2,1-2H3,(H2,17,19)
InChIKeyLYHRBNNTUPQVCU-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.73
Rot. Bonds1

About 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine

6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine (PubChem CID 121293741) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
PubChem CID121293741
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC Name6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncn2c1C(N)=NC(C)(c1cc(Br)ccc1F)C2
InChIInChI=1S/C14H14BrFN4/c1-8-12-13(17)19-14(2,6-20(12)7-18-8)10-5-9(15)3-4-11(10)16/h3-5,7H,6H2,1-2H3,(H2,17,19)
InChIKeyLYHRBNNTUPQVCU-UHFFFAOYSA-N
XLogP2.73
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
CID 67984343
(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159196026
6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
CID 121294065
(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
[4-(5-bromo-2-fluorophenyl)-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-6-yl]carbamic acid
CID 118173070
(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
CID 121296176
5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 123668808
(2S,4R)-2-(5-bromo-2-fluorophenyl)-N,2,5,5,6-pentamethyl-3,4-dihydropyridin-4-amine
CID 144715692
[5-(5-bromo-2-fluorophenyl)-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid
CID 135126002
[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
CID 67984598
(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
CID 67025525
N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123998272

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine (CID 121293741) is 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine is Cc1ncn2c1C(N)=NC(C)(c1cc(Br)ccc1F)C2.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LYHRBNNTUPQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c1-8-12-13(17)19-14(2,6-20(12)7-18-8)10-5-9(15)3-4-11(10)16/h3-5,7H,6H2,1-2H3,(H2,17,19).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine?
6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 337.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 121293741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).