5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine

C23H24Cl2N4 — CID 143313007

IUPAC5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
SMILESCCN1CCCC1CNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24Cl2N4/c1-2-29-13-3-4-20(29)14-26-21-15-27-22(16-5-9-18(24)10-6-16)23(28-21)17-7-11-19(25)12-8-17/h5-12,15,20H,2-4,13-14H2,1H3,(H,26,28)
InChIKeyALZIMEYTDLGAIW-UHFFFAOYSA-N
MW427.38 g/mol
LogP6.01
Rot. Bonds6

About 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine

5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine (PubChem CID 143313007) has the molecular formula C23H24Cl2N4 and a molecular weight of 427.38 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
PubChem CID143313007
Molecular FormulaC23H24Cl2N4
Molecular Weight427.38 g/mol
Exact Mass426.14
IUPAC Name5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
SMILESCCN1CCCC1CNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24Cl2N4/c1-2-29-13-3-4-20(29)14-26-21-15-27-22(16-5-9-18(24)10-6-16)23(28-21)17-7-11-19(25)12-8-17/h5-12,15,20H,2-4,13-14H2,1H3,(H,26,28)
InChIKeyALZIMEYTDLGAIW-UHFFFAOYSA-N
XLogP6.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
CID 71199867
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine (CID 143313007) is 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine is CCN1CCCC1CNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
The InChIKey is ALZIMEYTDLGAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4/c1-2-29-13-3-4-20(29)14-26-21-15-27-22(16-5-9-18(24)10-6-16)23(28-21)17-7-11-19(25)12-8-17/h5-12,15,20H,2-4,13-14H2,1H3,(H,26,28).
What are the key properties of 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine has a molecular weight of 427.38 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 143313007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).