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

C20H17FN8O — CID 59548385

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C20H17FN8O/c1-11-25-17(29-20(22)26-11)14-5-6-16(12-4-3-7-23-9-12)28-18(14)27-13-8-15(21)19(30-2)24-10-13/h3-10H,1-2H3,(H,27,28)(H2,22,25,26,29)
InChIKeyFORRMHOIDQNIIJ-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.17
Rot. Bonds5

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

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548385) has the molecular formula C20H17FN8O and a molecular weight of 404.41 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548385
Molecular FormulaC20H17FN8O
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C20H17FN8O/c1-11-25-17(29-20(22)26-11)14-5-6-16(12-4-3-7-23-9-12)28-18(14)27-13-8-15(21)19(30-2)24-10-13/h3-10H,1-2H3,(H,27,28)(H2,22,25,26,29)
InChIKeyFORRMHOIDQNIIJ-UHFFFAOYSA-N
XLogP3.17
TPSA124.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548385) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ncc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is FORRMHOIDQNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O/c1-11-25-17(29-20(22)26-11)14-5-6-16(12-4-3-7-23-9-12)28-18(14)27-13-8-15(21)19(30-2)24-10-13/h3-10H,1-2H3,(H,27,28)(H2,22,25,26,29).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 404.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).