5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine

C21H21ClF2N4 — CID 138508269

IUPAC5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine
SMILESC=Cc1ccc(/C(N)=C/C2=C(N)NCCN2Cc2c(F)ccc(F)c2Cl)cc1
InChIInChI=1S/C21H21ClF2N4/c1-2-13-3-5-14(6-4-13)18(25)11-19-21(26)27-9-10-28(19)12-15-16(23)7-8-17(24)20(15)22/h2-8,11,27H,1,9-10,12,25-26H2/b18-11-
InChIKeyKGSNZRNLUIKJTD-WQRHYEAKSA-N
MW402.88 g/mol
LogP3.79
Rot. Bonds5

About 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine

5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine (PubChem CID 138508269) has the molecular formula C21H21ClF2N4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine.

Molecular Properties

Compound Name5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine
PubChem CID138508269
Molecular FormulaC21H21ClF2N4
Molecular Weight402.88 g/mol
Exact Mass402.14
IUPAC Name5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine
SMILESC=Cc1ccc(/C(N)=C/C2=C(N)NCCN2Cc2c(F)ccc(F)c2Cl)cc1
InChIInChI=1S/C21H21ClF2N4/c1-2-13-3-5-14(6-4-13)18(25)11-19-21(26)27-9-10-28(19)12-15-16(23)7-8-17(24)20(15)22/h2-8,11,27H,1,9-10,12,25-26H2/b18-11-
InChIKeyKGSNZRNLUIKJTD-WQRHYEAKSA-N
XLogP3.79
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
2-N-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 10090073
1-[(2-Chloro-4-fluorophenyl)-phenylmethyl]piperazine
CID 45277417
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-bis[2-[(2-chloro-4-fluorophenyl)methylamino]ethyl]ethane-1,2-diamine
CID 59751013
1-(2-chloro-4-fluorophenyl)-5-methyl-2-N-[(4-methylphenyl)methyl]hexane-2,3-diamine
CID 67159346
1-[(3R)-4-[(2-chloro-5-fluorophenyl)methyl]-6-methyl-3H-1,2,4-triazin-3-yl]piperidin-3-amine
CID 67313709
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 68603529
1-(2-chloro-4-fluorophenyl)-5-methyl-3-N-[(4-methylphenyl)methyl]hexane-2,3-diamine
CID 68954353
6-(2-chloro-4-fluorophenyl)-4-methyl-2-N-[(4-methylphenyl)methyl]hexane-1,2-diamine
CID 68954354
(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 69062139

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine?
The IUPAC name of 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine (CID 138508269) is 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine.
What is the SMILES notation for 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine?
The canonical SMILES for 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine is C=Cc1ccc(/C(N)=C/C2=C(N)NCCN2Cc2c(F)ccc(F)c2Cl)cc1.
What is the InChIKey of 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine?
The InChIKey is KGSNZRNLUIKJTD-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H21ClF2N4/c1-2-13-3-5-14(6-4-13)18(25)11-19-21(26)27-9-10-28(19)12-15-16(23)7-8-17(24)20(15)22/h2-8,11,27H,1,9-10,12,25-26H2/b18-11-.
What are the key properties of 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine?
5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine has a molecular weight of 402.88 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-amino-2-(4-ethenylphenyl)ethenyl]-4-[(2-chloro-3,6-difluorophenyl)methyl]-2,3-dihydro-1H-pyrazin-6-amine is sourced from PubChem (CID 138508269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).