3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine

C22H35N5 — CID 58804525

About 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine

3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804525) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
• PubChem CID: 58804525
• Molecular Formula: C22H35N5
• Molecular Weight: 369.56 g/mol
• Exact Mass: 369.29
• IUPAC Name: 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
• SMILES: CCc1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CC
• InChI: InChI=1S/C22H35N5/c1-8-15(9-2)24-22-18(11-4)25-20(17(10-3)26-22)16-12-13-19(14(5)6)27-21(16)23-7/h12-15H,8-11H2,1-7H3,(H,23,27)(H,24,26)
• InChIKey: XFVSZSZJORYCHI-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 62.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine (CID 58804525) is 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine.

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

The canonical SMILES for 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CC.

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

The InChIKey is XFVSZSZJORYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-8-15(9-2)24-22-18(11-4)25-20(17(10-3)26-22)16-12-13-19(14(5)6)27-21(16)23-7/h12-15H,8-11H2,1-7H3,(H,23,27)(H,24,26).

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

3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 369.56 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).