2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

C22H42N8O2 — CID 624283

About 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide (PubChem CID 624283) has the molecular formula C22H42N8O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
• PubChem CID: 624283
• Molecular Formula: C22H42N8O2
• Molecular Weight: 450.63 g/mol
• Exact Mass: 450.34
• IUPAC Name: 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
• SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)c1nc(N)nc(N(C)C)n1
• InChI: InChI=1S/C22H42N8O2/c1-12(2)9-15(23)19(31)26-17(11-14(5)6)20(32)25-16(10-13(3)4)18-27-21(24)29-22(28-18)30(7)8/h12-17H,9-11,23H2,1-8H3,(H,25,32)(H,26,31)(H2,24,27,28,29)
• InChIKey: WGDIAKWUJYDFFL-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 152.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.63
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?

The IUPAC name of 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide (CID 624283) is 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide.

What is the SMILES notation for 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?

The canonical SMILES for 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide is CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)c1nc(N)nc(N(C)C)n1.

What is the InChIKey of 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?

The InChIKey is WGDIAKWUJYDFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N8O2/c1-12(2)9-15(23)19(31)26-17(11-14(5)6)20(32)25-16(10-13(3)4)18-27-21(24)29-22(28-18)30(7)8/h12-17H,9-11,23H2,1-8H3,(H,25,32)(H,26,31)(H2,24,27,28,29).

What are the key properties of 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?

2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide has a molecular weight of 450.63 g/mol, XLogP of 1.63, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 624283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).