5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

C21H31N3O2 — CID 18449319

IUPAC5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC(CC)CC
InChIInChI=1S/C21H31N3O2/c1-7-14(8-2)22-21-18(10-4)23-20(17(9-3)24-21)16-12-11-15(25-5)13-19(16)26-6/h11-14H,7-10H2,1-6H3,(H,22,24)
InChIKeyXLUVAJCDSFXIDU-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.89
Rot. Bonds9

About 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 18449319) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID18449319
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC(CC)CC
InChIInChI=1S/C21H31N3O2/c1-7-14(8-2)22-21-18(10-4)23-20(17(9-3)24-21)16-12-11-15(25-5)13-19(16)26-6/h11-14H,7-10H2,1-6H3,(H,22,24)
InChIKeyXLUVAJCDSFXIDU-UHFFFAOYSA-N
XLogP4.89
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (CID 18449319) is 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC(CC)CC.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is XLUVAJCDSFXIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-7-14(8-2)22-21-18(10-4)23-20(17(9-3)24-21)16-12-11-15(25-5)13-19(16)26-6/h11-14H,7-10H2,1-6H3,(H,22,24).
What are the key properties of 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 357.50 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 18449319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).