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

C22H28N8O3S — CID 59548356

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3CCC(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C22H28N8O3S/c1-14-26-21(29-22(23)27-14)18-10-15(13-30-8-6-17(7-9-30)34(3,31)32)11-25-20(18)28-16-4-5-19(33-2)24-12-16/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)
InChIKeyUZUPOMTXPRNVLO-UHFFFAOYSA-N
MW484.59 g/mol
LogP1.98
Rot. Bonds7

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

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548356) has the molecular formula C22H28N8O3S and a molecular weight of 484.59 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548356
Molecular FormulaC22H28N8O3S
Molecular Weight484.59 g/mol
Exact Mass484.20
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3CCC(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C22H28N8O3S/c1-14-26-21(29-22(23)27-14)18-10-15(13-30-8-6-17(7-9-30)34(3,31)32)11-25-20(18)28-16-4-5-19(33-2)24-12-16/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)
InChIKeyUZUPOMTXPRNVLO-UHFFFAOYSA-N
XLogP1.98
TPSA149.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548356) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)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-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(CN3CCC(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-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is UZUPOMTXPRNVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3S/c1-14-26-21(29-22(23)27-14)18-10-15(13-30-8-6-17(7-9-30)34(3,31)32)11-25-20(18)28-16-4-5-19(33-2)24-12-16/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 484.59 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).