3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine

C22H33N3O3 — CID 58804434

IUPAC3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine
SMILESCCCC(CC)Oc1nc(C)c(-c2ccc(OC(C)C)cc2OC)nc1NC
InChIInChI=1S/C22H33N3O3/c1-8-10-16(9-2)28-22-21(23-6)25-20(15(5)24-22)18-12-11-17(27-14(3)4)13-19(18)26-7/h11-14,16H,8-10H2,1-7H3,(H,23,25)
InChIKeyRKASGNKFEKFDIX-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.25
Rot. Bonds10

About 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine

3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine (PubChem CID 58804434) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine
PubChem CID58804434
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine
SMILESCCCC(CC)Oc1nc(C)c(-c2ccc(OC(C)C)cc2OC)nc1NC
InChIInChI=1S/C22H33N3O3/c1-8-10-16(9-2)28-22-21(23-6)25-20(15(5)24-22)18-12-11-17(27-14(3)4)13-19(18)26-7/h11-14,16H,8-10H2,1-7H3,(H,23,25)
InChIKeyRKASGNKFEKFDIX-UHFFFAOYSA-N
XLogP5.25
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine?
The IUPAC name of 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine (CID 58804434) is 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine?
The canonical SMILES for 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine is CCCC(CC)Oc1nc(C)c(-c2ccc(OC(C)C)cc2OC)nc1NC.
What is the InChIKey of 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine?
The InChIKey is RKASGNKFEKFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-8-10-16(9-2)28-22-21(23-6)25-20(15(5)24-22)18-12-11-17(27-14(3)4)13-19(18)26-7/h11-14,16H,8-10H2,1-7H3,(H,23,25).
What are the key properties of 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine?
3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine has a molecular weight of 387.52 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine is sourced from PubChem (CID 58804434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).