4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

C19H25ClN4O2S — CID 39626348

IUPAC4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H25ClN4O2S/c1-13(2)19-21-15(4)12-18(22-19)23-7-9-24(10-8-23)27(25,26)17-6-5-16(20)11-14(17)3/h5-6,11-13H,7-10H2,1-4H3
InChIKeyADPRSCDZBGDFBO-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.38
Rot. Bonds4

About 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 39626348) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
PubChem CID39626348
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H25ClN4O2S/c1-13(2)19-21-15(4)12-18(22-19)23-7-9-24(10-8-23)27(25,26)17-6-5-16(20)11-14(17)3/h5-6,11-13H,7-10H2,1-4H3
InChIKeyADPRSCDZBGDFBO-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 17455626
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 26539789
4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 26539778
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351198
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 26539800
2-(2,4-dichlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18277916
N-(3-chlorophenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734883
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047743
N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 24589360
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine (CID 39626348) is 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine is Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is ADPRSCDZBGDFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-13(2)19-21-15(4)12-18(22-19)23-7-9-24(10-8-23)27(25,26)17-6-5-16(20)11-14(17)3/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 408.96 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 39626348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).