3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine

C24H40N6O2 — CID 58804350

IUPAC3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2nc(CC)c(NC(CC)CC)nc2OC)c(OC)nc1NC(CC)CC
InChIInChI=1S/C24H40N6O2/c1-9-15(10-2)25-21-17(13-5)27-19(23(29-21)31-7)20-24(32-8)30-22(18(14-6)28-20)26-16(11-3)12-4/h15-16H,9-14H2,1-8H3,(H,25,29)(H,26,30)
InChIKeyLRDDFBNKZILEOB-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.28
Rot. Bonds13

About 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine

3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804350) has the molecular formula C24H40N6O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804350
Molecular FormulaC24H40N6O2
Molecular Weight444.62 g/mol
Exact Mass444.32
IUPAC Name3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2nc(CC)c(NC(CC)CC)nc2OC)c(OC)nc1NC(CC)CC
InChIInChI=1S/C24H40N6O2/c1-9-15(10-2)25-21-17(13-5)27-19(23(29-21)31-7)20-24(32-8)30-22(18(14-6)28-20)26-16(11-3)12-4/h15-16H,9-14H2,1-8H3,(H,25,29)(H,26,30)
InChIKeyLRDDFBNKZILEOB-UHFFFAOYSA-N
XLogP5.28
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 58804350) is 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2nc(CC)c(NC(CC)CC)nc2OC)c(OC)nc1NC(CC)CC.
What is the InChIKey of 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is LRDDFBNKZILEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O2/c1-9-15(10-2)25-21-17(13-5)27-19(23(29-21)31-7)20-24(32-8)30-22(18(14-6)28-20)26-16(11-3)12-4/h15-16H,9-14H2,1-8H3,(H,25,29)(H,26,30).
What are the key properties of 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine?
3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 444.62 g/mol, XLogP of 5.28, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).