3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine

C22H35N5O — CID 58804334

About 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine

3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804334) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
• PubChem CID: 58804334
• Molecular Formula: C22H35N5O
• Molecular Weight: 385.56 g/mol
• Exact Mass: 385.28
• IUPAC Name: 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
• SMILES: CCc1nc(-c2cnc(NC(C)C)cc2OC)c(CC)nc1NC(CC)CC
• InChI: InChI=1S/C22H35N5O/c1-8-15(9-2)25-22-18(11-4)26-21(17(10-3)27-22)16-13-23-20(24-14(5)6)12-19(16)28-7/h12-15H,8-11H2,1-7H3,(H,23,24)(H,25,27)
• InChIKey: UJPHGFDGODCZDZ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 71.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.56
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?

The IUPAC name of 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine (CID 58804334) is 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine.

What is the SMILES notation for 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?

The canonical SMILES for 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2cnc(NC(C)C)cc2OC)c(CC)nc1NC(CC)CC.

What is the InChIKey of 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?

The InChIKey is UJPHGFDGODCZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-8-15(9-2)25-22-18(11-4)26-21(17(10-3)27-22)16-13-23-20(24-14(5)6)12-19(16)28-7/h12-15H,8-11H2,1-7H3,(H,23,24)(H,25,27).

What are the key properties of 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?

3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 385.56 g/mol, XLogP of 5.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).