6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine

C20H21N3O — CID 58496639

IUPAC6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
SMILESCOc1cc(-c2cncc(N[C@@H](C)c3ccccc3)n2)ccc1C
InChIInChI=1S/C20H21N3O/c1-14-9-10-17(11-19(14)24-3)18-12-21-13-20(23-18)22-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyAHMGWSKKRNFRSW-HNNXBMFYSA-N
MW319.41 g/mol
LogP4.63
Rot. Bonds5

About 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine

6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine (PubChem CID 58496639) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
PubChem CID58496639
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
SMILESCOc1cc(-c2cncc(N[C@@H](C)c3ccccc3)n2)ccc1C
InChIInChI=1S/C20H21N3O/c1-14-9-10-17(11-19(14)24-3)18-12-21-13-20(23-18)22-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyAHMGWSKKRNFRSW-HNNXBMFYSA-N
XLogP4.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10020855
CID 10020855
CID 10871856
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CID 1096451
CID 1096451
CID 153224
CID 153224
CID 18673160
CID 18673160
CID 10380127
CID 10380127
CID 10474096
CID 10474096
CID 196882
CID 196882
CID 9945957
CID 9945957
CID 10178818
CID 10178818
CID 10200724
CID 10200724
CID 10236578
CID 10236578

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The IUPAC name of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine (CID 58496639) is 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The canonical SMILES for 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine is COc1cc(-c2cncc(N[C@@H](C)c3ccccc3)n2)ccc1C.
What is the InChIKey of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The InChIKey is AHMGWSKKRNFRSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-9-10-17(11-19(14)24-3)18-12-21-13-20(23-18)22-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine is sourced from PubChem (CID 58496639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).