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

C16H16N6O — CID 59548263

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ccccc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C16H16N6O/c1-10-19-15(22-16(17)20-10)12-5-3-4-6-13(12)21-11-7-8-14(23-2)18-9-11/h3-9,21H,1-2H3,(H2,17,19,20,22)
InChIKeyZHLGCXHMAAIMNM-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.58
Rot. Bonds4

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

4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548263) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548263
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ccccc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C16H16N6O/c1-10-19-15(22-16(17)20-10)12-5-3-4-6-13(12)21-11-7-8-14(23-2)18-9-11/h3-9,21H,1-2H3,(H2,17,19,20,22)
InChIKeyZHLGCXHMAAIMNM-UHFFFAOYSA-N
XLogP2.58
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548263) is 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ccccc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is ZHLGCXHMAAIMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-19-15(22-16(17)20-10)12-5-3-4-6-13(12)21-11-7-8-14(23-2)18-9-11/h3-9,21H,1-2H3,(H2,17,19,20,22).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 308.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]phenyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).