5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

C22H33N3O3 — CID 10091633

IUPAC5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)C)cc2OC)nc1OC
InChIInChI=1S/C22H33N3O3/c1-9-16(10-2)24-21-22(28-8)25-20(14(5)23-21)19-17(26-6)11-15(13(3)4)12-18(19)27-7/h11-13,16H,9-10H2,1-8H3,(H,23,24)
InChIKeyVYTMJXHFWJRXKB-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.20
Rot. Bonds9

About 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 10091633) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID10091633
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)C)cc2OC)nc1OC
InChIInChI=1S/C22H33N3O3/c1-9-16(10-2)24-21-22(28-8)25-20(14(5)23-21)19-17(26-6)11-15(13(3)4)12-18(19)27-7/h11-13,16H,9-10H2,1-8H3,(H,23,24)
InChIKeyVYTMJXHFWJRXKB-UHFFFAOYSA-N
XLogP5.20
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 10091633) is 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)C)cc2OC)nc1OC.
What is the InChIKey of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is VYTMJXHFWJRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-9-16(10-2)24-21-22(28-8)25-20(14(5)23-21)19-17(26-6)11-15(13(3)4)12-18(19)27-7/h11-13,16H,9-10H2,1-8H3,(H,23,24).
What are the key properties of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 387.52 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 10091633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).