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

C16H16FN7O2 — CID 118722479

IUPAC[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol
SMILESCOc1ncc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C16H16FN7O2/c1-8-21-14(24-16(18)22-8)11-3-9(7-25)5-19-13(11)23-10-4-12(17)15(26-2)20-6-10/h3-6,25H,7H2,1-2H3,(H,19,23)(H2,18,21,22,24)
InChIKeyYEWABQMWBKESOQ-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.60
Rot. Bonds5

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

[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol (PubChem CID 118722479) has the molecular formula C16H16FN7O2 and a molecular weight of 357.35 g/mol. Its IUPAC name is [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol
PubChem CID118722479
Molecular FormulaC16H16FN7O2
Molecular Weight357.35 g/mol
Exact Mass357.13
IUPAC Name[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol
SMILESCOc1ncc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C16H16FN7O2/c1-8-21-14(24-16(18)22-8)11-3-9(7-25)5-19-13(11)23-10-4-12(17)15(26-2)20-6-10/h3-6,25H,7H2,1-2H3,(H,19,23)(H2,18,21,22,24)
InChIKeyYEWABQMWBKESOQ-UHFFFAOYSA-N
XLogP1.60
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol (CID 118722479) is [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol is COc1ncc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
The InChIKey is YEWABQMWBKESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O2/c1-8-21-14(24-16(18)22-8)11-3-9(7-25)5-19-13(11)23-10-4-12(17)15(26-2)20-6-10/h3-6,25H,7H2,1-2H3,(H,19,23)(H2,18,21,22,24).
What are the key properties of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol has a molecular weight of 357.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 118722479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).