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

C15H14BrN7O — CID 59548341

IUPAC4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(Br)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C15H14BrN7O/c1-8-20-14(23-15(17)21-8)11-5-9(16)6-19-13(11)22-10-3-4-12(24-2)18-7-10/h3-7H,1-2H3,(H,19,22)(H2,17,20,21,23)
InChIKeyVBYCMVGPGAGETD-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.73
Rot. Bonds4

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

4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548341) has the molecular formula C15H14BrN7O and a molecular weight of 388.23 g/mol. Its IUPAC name is 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548341
Molecular FormulaC15H14BrN7O
Molecular Weight388.23 g/mol
Exact Mass387.04
IUPAC Name4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(Br)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C15H14BrN7O/c1-8-20-14(23-15(17)21-8)11-5-9(16)6-19-13(11)22-10-3-4-12(24-2)18-7-10/h3-7H,1-2H3,(H,19,22)(H2,17,20,21,23)
InChIKeyVBYCMVGPGAGETD-UHFFFAOYSA-N
XLogP2.73
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548341) is 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(Br)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is VBYCMVGPGAGETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN7O/c1-8-20-14(23-15(17)21-8)11-5-9(16)6-19-13(11)22-10-3-4-12(24-2)18-7-10/h3-7H,1-2H3,(H,19,22)(H2,17,20,21,23).
What are the key properties of 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 388.23 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).