2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid

C23H23N7O2 — CID 23634107

About 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid

2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid (PubChem CID 23634107) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

• Compound Name: 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid
• PubChem CID: 23634107
• Molecular Formula: C23H23N7O2
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.19
• IUPAC Name: 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid
• SMILES: C[C@@H](Nc1nc(N)nc(-c2ccc(CC(N)C(=O)O)nc2)n1)c1ccc2ccccc2c1
• InChI: InChI=1S/C23H23N7O2/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)27-23-29-20(28-22(25)30-23)17-8-9-18(26-12-17)11-19(24)21(31)32/h2-10,12-13,19H,11,24H2,1H3,(H,31,32)(H3,25,27,28,29,30)/t13-,19?/m1/s1
• InChIKey: DIJNYDVGZLDZAL-BSOCMFCZSA-N
• XLogP: 2.80
• TPSA: 152.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid?

The IUPAC name of 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid (CID 23634107) is 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid.

What is the SMILES notation for 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid?

The canonical SMILES for 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid is C[C@@H](Nc1nc(N)nc(-c2ccc(CC(N)C(=O)O)nc2)n1)c1ccc2ccccc2c1.

What is the InChIKey of 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid?

The InChIKey is DIJNYDVGZLDZAL-BSOCMFCZSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)27-23-29-20(28-22(25)30-23)17-8-9-18(26-12-17)11-19(24)21(31)32/h2-10,12-13,19H,11,24H2,1H3,(H,31,32)(H3,25,27,28,29,30)/t13-,19?/m1/s1.

What are the key properties of 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid?

2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid has a molecular weight of 429.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[5-[4-amino-6-[[(1R)-1-naphthalen-2-ylethyl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 23634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).