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

C20H24N8O2S — CID 59548230

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3CCS(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C20H24N8O2S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-31(29)8-6-28)10-23-18(16)26-15-3-4-17(30-2)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
InChIKeyZPRDUDSEORNJKU-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.54
Rot. Bonds6

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

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548230) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548230
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3CCS(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C20H24N8O2S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-31(29)8-6-28)10-23-18(16)26-15-3-4-17(30-2)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
InChIKeyZPRDUDSEORNJKU-UHFFFAOYSA-N
XLogP1.54
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548230) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(CN3CCS(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is ZPRDUDSEORNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-31(29)8-6-28)10-23-18(16)26-15-3-4-17(30-2)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 440.53 g/mol, XLogP of 1.54, 6 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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).