3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine

C23H35N3O2 — CID 53310133

IUPAC3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC(C)C)cc2OC)c(CC)nc1NC(CC)CC
InChIInChI=1S/C23H35N3O2/c1-8-16(9-2)24-23-20(11-4)25-22(19(10-3)26-23)18-13-12-17(28-15(5)6)14-21(18)27-7/h12-16H,8-11H2,1-7H3,(H,24,26)
InChIKeyGZOXBGQDEGRMNO-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.66
Rot. Bonds10

About 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine

3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine (PubChem CID 53310133) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine
PubChem CID53310133
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC(C)C)cc2OC)c(CC)nc1NC(CC)CC
InChIInChI=1S/C23H35N3O2/c1-8-16(9-2)24-23-20(11-4)25-22(19(10-3)26-23)18-13-12-17(28-15(5)6)14-21(18)27-7/h12-16H,8-11H2,1-7H3,(H,24,26)
InChIKeyGZOXBGQDEGRMNO-UHFFFAOYSA-N
XLogP5.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine (CID 53310133) is 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC(C)C)cc2OC)c(CC)nc1NC(CC)CC.
What is the InChIKey of 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is GZOXBGQDEGRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-8-16(9-2)24-23-20(11-4)25-22(19(10-3)26-23)18-13-12-17(28-15(5)6)14-21(18)27-7/h12-16H,8-11H2,1-7H3,(H,24,26).
What are the key properties of 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine?
3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 385.55 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 53310133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).