4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

C16H20ClN5O2S — CID 31537658

IUPAC4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)c1
InChIInChI=1S/C16H20ClN5O2S/c1-11-3-4-12(2)13(9-11)25(23,24)22-7-5-21(6-8-22)15-10-14(17)19-16(18)20-15/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20)
InChIKeyUKLRYXAGNHZAHH-UHFFFAOYSA-N
MW381.89 g/mol
LogP1.84
Rot. Bonds3

About 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine (PubChem CID 31537658) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
PubChem CID31537658
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC Name4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)c1
InChIInChI=1S/C16H20ClN5O2S/c1-11-3-4-12(2)13(9-11)25(23,24)22-7-5-21(6-8-22)15-10-14(17)19-16(18)20-15/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20)
InChIKeyUKLRYXAGNHZAHH-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537662
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
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
6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582332
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine (CID 31537658) is 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)c1.
What is the InChIKey of 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
The InChIKey is UKLRYXAGNHZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2S/c1-11-3-4-12(2)13(9-11)25(23,24)22-7-5-21(6-8-22)15-10-14(17)19-16(18)20-15/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine has a molecular weight of 381.89 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 31537658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).