6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine

C18H24ClN5O3S — CID 122351859

IUPAC6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nc(C)n1
InChIInChI=1S/C18H24ClN5O3S/c1-4-20-17-12-18(22-13(2)21-17)23-7-9-24(10-8-23)28(25,26)16-11-14(19)5-6-15(16)27-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyYBINXDLODXHTNO-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.39
Rot. Bonds6

About 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine

6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 122351859) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID122351859
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC Name6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nc(C)n1
InChIInChI=1S/C18H24ClN5O3S/c1-4-20-17-12-18(22-13(2)21-17)23-7-9-24(10-8-23)28(25,26)16-11-14(19)5-6-15(16)27-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyYBINXDLODXHTNO-UHFFFAOYSA-N
XLogP2.39
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345266
6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351823
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351622
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351198
4-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047786
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122350896
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342145
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine (CID 122351859) is 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nc(C)n1.
What is the InChIKey of 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is YBINXDLODXHTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-4-20-17-12-18(22-13(2)21-17)23-7-9-24(10-8-23)28(25,26)16-11-14(19)5-6-15(16)27-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22).
What are the key properties of 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 425.94 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 122351859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).