4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine

C20H28N6O2S — CID 54583141

IUPAC4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(NC4CCNCC4)n3)cc2)CC1
InChIInChI=1S/C20H28N6O2S/c1-25-12-14-26(15-13-25)29(27,28)18-4-2-16(3-5-18)19-8-11-22-20(24-19)23-17-6-9-21-10-7-17/h2-5,8,11,17,21H,6-7,9-10,12-15H2,1H3,(H,22,23,24)
InChIKeyMTXLCCRNLBNLCE-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.24
Rot. Bonds5

About 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine

4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 54583141) has the molecular formula C20H28N6O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID54583141
Molecular FormulaC20H28N6O2S
Molecular Weight416.55 g/mol
Exact Mass416.20
IUPAC Name4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(NC4CCNCC4)n3)cc2)CC1
InChIInChI=1S/C20H28N6O2S/c1-25-12-14-26(15-13-25)29(27,28)18-4-2-16(3-5-18)19-8-11-22-20(24-19)23-17-6-9-21-10-7-17/h2-5,8,11,17,21H,6-7,9-10,12-15H2,1H3,(H,22,23,24)
InChIKeyMTXLCCRNLBNLCE-UHFFFAOYSA-N
XLogP1.24
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-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-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine (CID 54583141) is 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine is CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(NC4CCNCC4)n3)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is MTXLCCRNLBNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2S/c1-25-12-14-26(15-13-25)29(27,28)18-4-2-16(3-5-18)19-8-11-22-20(24-19)23-17-6-9-21-10-7-17/h2-5,8,11,17,21H,6-7,9-10,12-15H2,1H3,(H,22,23,24).
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine?
4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 416.55 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 54583141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).