6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine

C12H11ClFN3 — CID 58869935

IUPAC6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H11ClFN3/c1-8(9-3-2-4-10(14)5-9)16-12-7-15-6-11(13)17-12/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyUCAPGZFDUJVVLC-QMMMGPOBSA-N
MW251.69 g/mol
LogP3.44
Rot. Bonds3

About 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine

6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine (PubChem CID 58869935) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
PubChem CID58869935
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H11ClFN3/c1-8(9-3-2-4-10(14)5-9)16-12-7-15-6-11(13)17-12/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyUCAPGZFDUJVVLC-QMMMGPOBSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine
CID 133348279
6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
CID 133305089
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266
5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 114285843
2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine
CID 86315795
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine (CID 58869935) is 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine is C[C@H](Nc1cncc(Cl)n1)c1cccc(F)c1.
What is the InChIKey of 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is UCAPGZFDUJVVLC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-8(9-3-2-4-10(14)5-9)16-12-7-15-6-11(13)17-12/h2-8H,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine?
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 58869935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).