3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine

C18H17ClN4 — CID 126562201

IUPAC3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1nccnc1-c1ccc(N)cc1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN4/c1-12(15-4-2-3-5-16(15)19)23-18-17(21-10-11-22-18)13-6-8-14(20)9-7-13/h2-12H,20H2,1H3,(H,22,23)/t12-/m0/s1
InChIKeyZRXXLRDUTSGBHZ-LBPRGKRZSA-N
MW324.82 g/mol
LogP4.55
Rot. Bonds4

About 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine

3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine (PubChem CID 126562201) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine
PubChem CID126562201
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1nccnc1-c1ccc(N)cc1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN4/c1-12(15-4-2-3-5-16(15)19)23-18-17(21-10-11-22-18)13-6-8-14(20)9-7-13/h2-12H,20H2,1H3,(H,22,23)/t12-/m0/s1
InChIKeyZRXXLRDUTSGBHZ-LBPRGKRZSA-N
XLogP4.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine (CID 126562201) is 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine is C[C@H](Nc1nccnc1-c1ccc(N)cc1)c1ccccc1Cl.
What is the InChIKey of 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is ZRXXLRDUTSGBHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-12(15-4-2-3-5-16(15)19)23-18-17(21-10-11-22-18)13-6-8-14(20)9-7-13/h2-12H,20H2,1H3,(H,22,23)/t12-/m0/s1.
What are the key properties of 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine?
3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 324.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 126562201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).