4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine

C18H28N6O2S — CID 30868067

IUPAC4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1
InChIInChI=1S/C18H28N6O2S/c1-5-6-11-27(25,26)23-9-7-22(8-10-23)17-13-18(20-16(4)19-17)24-15(3)12-14(2)21-24/h12-13H,5-11H2,1-4H3
InChIKeyQKPHZJGJMFYVRT-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.84
Rot. Bonds6

About 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine

4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine (PubChem CID 30868067) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
PubChem CID30868067
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC Name4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1
InChIInChI=1S/C18H28N6O2S/c1-5-6-11-27(25,26)23-9-7-22(8-10-23)17-13-18(20-16(4)19-17)24-15(3)12-14(2)21-24/h12-13H,5-11H2,1-4H3
InChIKeyQKPHZJGJMFYVRT-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine 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-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine (CID 30868067) is 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine is CCCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1.
What is the InChIKey of 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The InChIKey is QKPHZJGJMFYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-5-6-11-27(25,26)23-9-7-22(8-10-23)17-13-18(20-16(4)19-17)24-15(3)12-14(2)21-24/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine has a molecular weight of 392.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 30868067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).