4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine

C19H23F2N5O2S — CID 50947923

IUPAC4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C19H23F2N5O2S/c1-14-22-18(24-6-2-3-7-24)13-19(23-14)25-8-10-26(11-9-25)29(27,28)17-12-15(20)4-5-16(17)21/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyBFRLNPVJPLDXJD-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.17
Rot. Bonds4

About 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 50947923) has the molecular formula C19H23F2N5O2S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID50947923
Molecular FormulaC19H23F2N5O2S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C19H23F2N5O2S/c1-14-22-18(24-6-2-3-7-24)13-19(23-14)25-8-10-26(11-9-25)29(27,28)17-12-15(20)4-5-16(17)21/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyBFRLNPVJPLDXJD-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56700392
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 70703577
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
CID 121053202
2,5-difluoro-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297191
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 50944762
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348624
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine (CID 50947923) is 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine is Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1.
What is the InChIKey of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is BFRLNPVJPLDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2S/c1-14-22-18(24-6-2-3-7-24)13-19(23-14)25-8-10-26(11-9-25)29(27,28)17-12-15(20)4-5-16(17)21/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine?
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 423.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 50947923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).