(1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol

C17H18FN7O2 — CID 118722480

About (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol

(1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol (PubChem CID 118722480) has the molecular formula C17H18FN7O2 and a molecular weight of 371.38 g/mol. Its IUPAC name is (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol
• PubChem CID: 118722480
• Molecular Formula: C17H18FN7O2
• Molecular Weight: 371.38 g/mol
• Exact Mass: 371.15
• IUPAC Name: (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol
• SMILES: COc1ncc(Nc2ncc([C@@H](C)O)cc2-c2nc(C)nc(N)n2)cc1F
• InChI: InChI=1S/C17H18FN7O2/c1-8(26)10-4-12(15-22-9(2)23-17(19)25-15)14(20-6-10)24-11-5-13(18)16(27-3)21-7-11/h4-8,26H,1-3H3,(H,20,24)(H2,19,22,23,25)/t8-/m1/s1
• InChIKey: RFMMTRCKHHKIJM-MRVPVSSYSA-N
• XLogP: 2.16
• TPSA: 131.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.38
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol (CID 118722480) is (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol.

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

The canonical SMILES for (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol is COc1ncc(Nc2ncc([C@@H](C)O)cc2-c2nc(C)nc(N)n2)cc1F.

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

The InChIKey is RFMMTRCKHHKIJM-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H18FN7O2/c1-8(26)10-4-12(15-22-9(2)23-17(19)25-15)14(20-6-10)24-11-5-13(18)16(27-3)21-7-11/h4-8,26H,1-3H3,(H,20,24)(H2,19,22,23,25)/t8-/m1/s1.

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

(1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol has a molecular weight of 371.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 118722480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).