6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine

C16H18ClFN4 — CID 167778402

IUPAC6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine
SMILESFc1ccc(Nc2cncc(N3CCCCCC3)n2)cc1Cl
InChIInChI=1S/C16H18ClFN4/c17-13-9-12(5-6-14(13)18)20-15-10-19-11-16(21-15)22-7-3-1-2-4-8-22/h5-6,9-11H,1-4,7-8H2,(H,20,21)
InChIKeyIEDHMXXONPUGHQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.39
Rot. Bonds3

About 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine

6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine (PubChem CID 167778402) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine
PubChem CID167778402
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC Name6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine
SMILESFc1ccc(Nc2cncc(N3CCCCCC3)n2)cc1Cl
InChIInChI=1S/C16H18ClFN4/c17-13-9-12(5-6-14(13)18)20-15-10-19-11-16(21-15)22-7-3-1-2-4-8-22/h5-6,9-11H,1-4,7-8H2,(H,20,21)
InChIKeyIEDHMXXONPUGHQ-UHFFFAOYSA-N
XLogP4.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941993
4-[3-(3-chloro-4-fluoroanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946583
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
1-(3-chloro-4-fluorophenyl)-3-(8-fluoro-2-piperidin-1-ylquinolin-6-yl)urea
CID 53110758
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine (CID 167778402) is 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine is Fc1ccc(Nc2cncc(N3CCCCCC3)n2)cc1Cl.
What is the InChIKey of 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine?
The InChIKey is IEDHMXXONPUGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4/c17-13-9-12(5-6-14(13)18)20-15-10-19-11-16(21-15)22-7-3-1-2-4-8-22/h5-6,9-11H,1-4,7-8H2,(H,20,21).
What are the key properties of 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine?
6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine has a molecular weight of 320.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 167778402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).