2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

C17H18FN7O — CID 59548265

About 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548265) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
• PubChem CID: 59548265
• Molecular Formula: C17H18FN7O
• Molecular Weight: 355.38 g/mol
• Exact Mass: 355.16
• IUPAC Name: 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
• SMILES: Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(F)c2)n1
• InChI: InChI=1S/C17H18FN7O/c1-9-22-15(25-16(19)23-9)13-4-10(17(2,3)26)6-21-14(13)24-12-5-11(18)7-20-8-12/h4-8,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
• InChIKey: QTCHCGFCYOHSMS-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 122.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.38
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?

The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (CID 59548265) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(F)c2)n1.

What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?

The InChIKey is QTCHCGFCYOHSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-9-22-15(25-16(19)23-9)13-4-10(17(2,3)26)6-21-14(13)24-12-5-11(18)7-20-8-12/h4-8,26H,1-3H3,(H,21,24)(H2,19,22,23,25).

What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol has a molecular weight of 355.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).