2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine

C24H35N5O2S — CID 20896411

IUPAC2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1
InChIInChI=1S/C24H35N5O2S/c1-18(2)21-9-8-19(3)22(16-21)32(30,31)29-14-12-28(13-15-29)24-17-23(25-20(4)26-24)27-10-6-5-7-11-27/h8-9,16-18H,5-7,10-15H2,1-4H3
InChIKeyWEABUZKBNZXHPY-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine

2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine (PubChem CID 20896411) has the molecular formula C24H35N5O2S and a molecular weight of 457.64 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine
PubChem CID20896411
Molecular FormulaC24H35N5O2S
Molecular Weight457.64 g/mol
Exact Mass457.25
IUPAC Name2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1
InChIInChI=1S/C24H35N5O2S/c1-18(2)21-9-8-19(3)22(16-21)32(30,31)29-14-12-28(13-15-29)24-17-23(25-20(4)26-24)27-10-6-5-7-11-27/h8-9,16-18H,5-7,10-15H2,1-4H3
InChIKeyWEABUZKBNZXHPY-UHFFFAOYSA-N
XLogP3.72
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896378
1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 110819026
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
CID 82026814
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56699356
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine (CID 20896411) is 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine is Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The InChIKey is WEABUZKBNZXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2S/c1-18(2)21-9-8-19(3)22(16-21)32(30,31)29-14-12-28(13-15-29)24-17-23(25-20(4)26-24)27-10-6-5-7-11-27/h8-9,16-18H,5-7,10-15H2,1-4H3.
What are the key properties of 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine?
2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine has a molecular weight of 457.64 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 20896411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).