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

C21H27N9O2S — CID 71455168

IUPAC4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C21H27N9O2S/c1-14-4-5-17(12-23-14)27-19-18(20-25-15(2)26-21(22)28-20)10-16(11-24-19)13-29-6-8-30(9-7-29)33(3,31)32/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
InChIKeyNRNPLKNQEHSDHU-UHFFFAOYSA-N
MW469.58 g/mol
LogP1.35
Rot. Bonds6

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

4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 71455168) has the molecular formula C21H27N9O2S and a molecular weight of 469.58 g/mol. Its IUPAC name is 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine
PubChem CID71455168
Molecular FormulaC21H27N9O2S
Molecular Weight469.58 g/mol
Exact Mass469.20
IUPAC Name4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C21H27N9O2S/c1-14-4-5-17(12-23-14)27-19-18(20-25-15(2)26-21(22)28-20)10-16(11-24-19)13-29-6-8-30(9-7-29)33(3,31)32/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
InChIKeyNRNPLKNQEHSDHU-UHFFFAOYSA-N
XLogP1.35
TPSA143.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-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-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine (CID 71455168) is 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine is Cc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine?
The InChIKey is NRNPLKNQEHSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9O2S/c1-14-4-5-17(12-23-14)27-19-18(20-25-15(2)26-21(22)28-20)10-16(11-24-19)13-29-6-8-30(9-7-29)33(3,31)32/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28).
What are the key properties of 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine?
4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 469.58 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[(6-methyl-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 71455168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).