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

C23H23N7O3S — CID 59548462

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30)
InChIKeyAXVUBWYMDBEDQM-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.97
Rot. Bonds7

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

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548462) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548462
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30)
InChIKeyAXVUBWYMDBEDQM-UHFFFAOYSA-N
XLogP2.97
TPSA145.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548462) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is AXVUBWYMDBEDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 477.55 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylphenyl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).