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

C21H19FN8O — CID 142788973

IUPAC4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ncc(-c2cc(-c3nc(C)nc(N)n3)c(N)nc2-c2ccncc2)cc1F
InChIInChI=1S/C21H19FN8O/c1-3-31-20-16(22)8-13(10-26-20)14-9-15(19-27-11(2)28-21(24)30-19)18(23)29-17(14)12-4-6-25-7-5-12/h4-10H,3H2,1-2H3,(H2,23,29)(H2,24,27,28,30)
InChIKeyHOAUSEFBZBNSEE-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.07
Rot. Bonds5

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

4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 142788973) has the molecular formula C21H19FN8O and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID142788973
Molecular FormulaC21H19FN8O
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ncc(-c2cc(-c3nc(C)nc(N)n3)c(N)nc2-c2ccncc2)cc1F
InChIInChI=1S/C21H19FN8O/c1-3-31-20-16(22)8-13(10-26-20)14-9-15(19-27-11(2)28-21(24)30-19)18(23)29-17(14)12-4-6-25-7-5-12/h4-10H,3H2,1-2H3,(H2,23,29)(H2,24,27,28,30)
InChIKeyHOAUSEFBZBNSEE-UHFFFAOYSA-N
XLogP3.07
TPSA138.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
6-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44449000
4-Fluoro-1-(2-methoxypyridin-4-yl)-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46206977
4-(5-(3,6-Dihydro-2H-pyran-4-YL)-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49785436
5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-N-(6-methoxypyridin-3-YL)-6'-methyl-3,3'-bipyridin-6-amine
CID 59548274
4-(5-Benzyl-2-(6-methoxypyridin-3-ylamino)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548453
6-(6-Methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine
CID 118321355

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 142788973) is 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is CCOc1ncc(-c2cc(-c3nc(C)nc(N)n3)c(N)nc2-c2ccncc2)cc1F.
What is the InChIKey of 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is HOAUSEFBZBNSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O/c1-3-31-20-16(22)8-13(10-26-20)14-9-15(19-27-11(2)28-21(24)30-19)18(23)29-17(14)12-4-6-25-7-5-12/h4-10H,3H2,1-2H3,(H2,23,29)(H2,24,27,28,30).
What are the key properties of 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 418.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(6-ethoxy-5-fluoro-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 142788973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).