4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine

C19H26N4O3S — CID 42474121

IUPAC4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine
SMILESCCCOc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O3S/c1-3-13-26-19-14-18(20-16(2)21-19)22-9-11-23(12-10-22)27(24,25)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeyOQOODCGCVXYLMM-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.23
Rot. Bonds7

About 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine

4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine (PubChem CID 42474121) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine.

Molecular Properties

Compound Name4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine
PubChem CID42474121
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine
SMILESCCCOc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O3S/c1-3-13-26-19-14-18(20-16(2)21-19)22-9-11-23(12-10-22)27(24,25)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeyOQOODCGCVXYLMM-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine 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-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine?
The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine (CID 42474121) is 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine.
What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine?
The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine is CCCOc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine?
The InChIKey is OQOODCGCVXYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-13-26-19-14-18(20-16(2)21-19)22-9-11-23(12-10-22)27(24,25)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3.
What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine?
4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine has a molecular weight of 390.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine is sourced from PubChem (CID 42474121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).