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

C14H14N8O — CID 59548283

IUPAC4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncncc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C14H14N8O/c1-8-19-13(22-14(15)20-8)10-6-16-7-18-12(10)21-9-3-4-11(23-2)17-5-9/h3-7H,1-2H3,(H,16,18,21)(H2,15,19,20,22)
InChIKeyZTODRPDFEHQEID-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.37
Rot. Bonds4

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

4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548283) has the molecular formula C14H14N8O and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548283
Molecular FormulaC14H14N8O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncncc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C14H14N8O/c1-8-19-13(22-14(15)20-8)10-6-16-7-18-12(10)21-9-3-4-11(23-2)17-5-9/h3-7H,1-2H3,(H,16,18,21)(H2,15,19,20,22)
InChIKeyZTODRPDFEHQEID-UHFFFAOYSA-N
XLogP1.37
TPSA124.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine (CID 59548283) is 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncncc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is ZTODRPDFEHQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O/c1-8-19-13(22-14(15)20-8)10-6-16-7-18-12(10)21-9-3-4-11(23-2)17-5-9/h3-7H,1-2H3,(H,16,18,21)(H2,15,19,20,22).
What are the key properties of 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?
4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 310.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).