N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine

C21H23N3 — CID 45488702

IUPACN-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine
SMILESCC(C)c1ccc(-c2cncc(N[C@@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3/c1-15(2)17-9-11-19(12-10-17)20-13-22-14-21(24-20)23-16(3)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyXFKMOOJBDUCTTE-INIZCTEOSA-N
MW317.44 g/mol
LogP5.44
Rot. Bonds5

About N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine

N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine (PubChem CID 45488702) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine
PubChem CID45488702
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine
SMILESCC(C)c1ccc(-c2cncc(N[C@@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3/c1-15(2)17-9-11-19(12-10-17)20-13-22-14-21(24-20)23-16(3)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyXFKMOOJBDUCTTE-INIZCTEOSA-N
XLogP5.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine (CID 45488702) is N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine is CC(C)c1ccc(-c2cncc(N[C@@H](C)c3ccccc3)n2)cc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine?
The InChIKey is XFKMOOJBDUCTTE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3/c1-15(2)17-9-11-19(12-10-17)20-13-22-14-21(24-20)23-16(3)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine?
N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine has a molecular weight of 317.44 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-6-(4-propan-2-ylphenyl)pyrazin-2-amine is sourced from PubChem (CID 45488702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).