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

C20H28ClN3O2 — CID 10293015

IUPAC5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCOc1cc(Cl)ccc1-c1nc(CC)c(NC(CC)CC)nc1OC
InChIInChI=1S/C20H28ClN3O2/c1-6-14(7-2)22-19-16(8-3)23-18(20(24-19)25-5)15-11-10-13(21)12-17(15)26-9-4/h10-12,14H,6-9H2,1-5H3,(H,22,24)
InChIKeyQCMYXKUBVFZJBM-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.37
Rot. Bonds9

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

5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 10293015) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID10293015
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCOc1cc(Cl)ccc1-c1nc(CC)c(NC(CC)CC)nc1OC
InChIInChI=1S/C20H28ClN3O2/c1-6-14(7-2)22-19-16(8-3)23-18(20(24-19)25-5)15-11-10-13(21)12-17(15)26-9-4/h10-12,14H,6-9H2,1-5H3,(H,22,24)
InChIKeyQCMYXKUBVFZJBM-UHFFFAOYSA-N
XLogP5.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 10293015) is 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine is CCOc1cc(Cl)ccc1-c1nc(CC)c(NC(CC)CC)nc1OC.
What is the InChIKey of 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is QCMYXKUBVFZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-6-14(7-2)22-19-16(8-3)23-18(20(24-19)25-5)15-11-10-13(21)12-17(15)26-9-4/h10-12,14H,6-9H2,1-5H3,(H,22,24).
What are the key properties of 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 377.92 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 10293015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).