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

C21H20N8O — CID 59548274

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccc(C)nc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C21H20N8O/c1-12-4-5-14(9-23-12)15-8-17(20-26-13(2)27-21(22)29-20)19(25-10-15)28-16-6-7-18(30-3)24-11-16/h4-11H,1-3H3,(H,25,28)(H2,22,26,27,29)
InChIKeyLJLOTRKTBODGRQ-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.34
Rot. Bonds5

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

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548274) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548274
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccc(C)nc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C21H20N8O/c1-12-4-5-14(9-23-12)15-8-17(20-26-13(2)27-21(22)29-20)19(25-10-15)28-16-6-7-18(30-3)24-11-16/h4-11H,1-3H3,(H,25,28)(H2,22,26,27,29)
InChIKeyLJLOTRKTBODGRQ-UHFFFAOYSA-N
XLogP3.34
TPSA124.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548274) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(-c3ccc(C)nc3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is LJLOTRKTBODGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-12-4-5-14(9-23-12)15-8-17(20-26-13(2)27-21(22)29-20)19(25-10-15)28-16-6-7-18(30-3)24-11-16/h4-11H,1-3H3,(H,25,28)(H2,22,26,27,29).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 400.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).