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

C16H17N7O2 — CID 59548371

IUPAC4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1
InChIInChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-6-11(24-2)8-19-14(12)22-10-4-5-13(25-3)18-7-10/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23)
InChIKeyDYLZJJGYKQIVGK-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.98
Rot. Bonds5

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

4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548371) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548371
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1
InChIInChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-6-11(24-2)8-19-14(12)22-10-4-5-13(25-3)18-7-10/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23)
InChIKeyDYLZJJGYKQIVGK-UHFFFAOYSA-N
XLogP1.98
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548371) is 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1.
What is the InChIKey of 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is DYLZJJGYKQIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-6-11(24-2)8-19-14(12)22-10-4-5-13(25-3)18-7-10/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23).
What are the key properties of 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 339.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).