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

C23H35N3O3 — CID 10092464

IUPAC5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1c(OC)cc(C(C)C)cc1OC
InChIInChI=1S/C23H35N3O3/c1-9-16(10-2)24-22-23(29-8)26-21(17(11-3)25-22)20-18(27-6)12-15(14(4)5)13-19(20)28-7/h12-14,16H,9-11H2,1-8H3,(H,24,25)
InChIKeyPTQPMDPVTDJQCO-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.46
Rot. Bonds10

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

5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 10092464) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID10092464
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1c(OC)cc(C(C)C)cc1OC
InChIInChI=1S/C23H35N3O3/c1-9-16(10-2)24-22-23(29-8)26-21(17(11-3)25-22)20-18(27-6)12-15(14(4)5)13-19(20)28-7/h12-14,16H,9-11H2,1-8H3,(H,24,25)
InChIKeyPTQPMDPVTDJQCO-UHFFFAOYSA-N
XLogP5.46
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.46
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)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 10092464) is 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(OC)nc1-c1c(OC)cc(C(C)C)cc1OC.
What is the InChIKey of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is PTQPMDPVTDJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-9-16(10-2)24-22-23(29-8)26-21(17(11-3)25-22)20-18(27-6)12-15(14(4)5)13-19(20)28-7/h12-14,16H,9-11H2,1-8H3,(H,24,25).
What are the key properties of 5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
5-(2,6-dimethoxy-4-propan-2-ylphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 401.55 g/mol, XLogP of 5.46, 10 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)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 10092464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).