5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine

C19H26ClN3O2 — CID 23595022

IUPAC5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2Cl)c(OC)nc1NC(CC)CC
InChIInChI=1S/C19H26ClN3O2/c1-6-12(7-2)21-18-16(8-3)22-17(19(23-18)25-5)14-10-9-13(24-4)11-15(14)20/h9-12H,6-8H2,1-5H3,(H,21,23)
InChIKeyXTIZJLIFJASKFU-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.98
Rot. Bonds8

About 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine

5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595022) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595022
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2Cl)c(OC)nc1NC(CC)CC
InChIInChI=1S/C19H26ClN3O2/c1-6-12(7-2)21-18-16(8-3)22-17(19(23-18)25-5)14-10-9-13(24-4)11-15(14)20/h9-12H,6-8H2,1-5H3,(H,21,23)
InChIKeyXTIZJLIFJASKFU-UHFFFAOYSA-N
XLogP4.98
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 23595022) is 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC)cc2Cl)c(OC)nc1NC(CC)CC.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is XTIZJLIFJASKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-6-12(7-2)21-18-16(8-3)22-17(19(23-18)25-5)14-10-9-13(24-4)11-15(14)20/h9-12H,6-8H2,1-5H3,(H,21,23).
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 363.89 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).