2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine

C10H17N5O4S — CID 171691645

IUPAC2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H17N5O4S/c1-18-9-11-8(12-10(13-9)19-2)14-4-6-15(7-5-14)20(3,16)17/h4-7H2,1-3H3
InChIKeyGHHVMBJXHLCURM-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.03
Rot. Bonds4

About 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine

2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 171691645) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine
PubChem CID171691645
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H17N5O4S/c1-18-9-11-8(12-10(13-9)19-2)14-4-6-15(7-5-14)20(3,16)17/h4-7H2,1-3H3
InChIKeyGHHVMBJXHLCURM-UHFFFAOYSA-N
XLogP-1.03
TPSA97.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine 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 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine (CID 171691645) is 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine is COc1nc(OC)nc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is GHHVMBJXHLCURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-18-9-11-8(12-10(13-9)19-2)14-4-6-15(7-5-14)20(3,16)17/h4-7H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine?
2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 303.34 g/mol, XLogP of -1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(4-methylsulfonylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 171691645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).