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

C19H23F2N5O2S — CID 50945548

IUPAC4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H23F2N5O2S/c1-14-12-18(23-19(22-14)25-6-2-3-7-25)24-8-10-26(11-9-24)29(27,28)17-5-4-15(20)13-16(17)21/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyUONKGMNNZQWOEG-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.17
Rot. Bonds4

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

4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 50945548) has the molecular formula C19H23F2N5O2S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID50945548
Molecular FormulaC19H23F2N5O2S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H23F2N5O2S/c1-14-12-18(23-19(22-14)25-6-2-3-7-25)24-8-10-26(11-9-24)29(27,28)17-5-4-15(20)13-16(17)21/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyUONKGMNNZQWOEG-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

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Related Compounds

4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339868
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333171
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333164
N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 53049012
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339872
2-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 50945939
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333161
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 50945548) is 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is UONKGMNNZQWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2S/c1-14-12-18(23-19(22-14)25-6-2-3-7-25)24-8-10-26(11-9-24)29(27,28)17-5-4-15(20)13-16(17)21/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-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-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 50945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).