4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

C21H29N5O5S — CID 27477893

IUPAC4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C21H29N5O5S/c1-16-14-20(24-10-12-31-13-11-24)23-21(22-16)25-6-8-26(9-7-25)32(27,28)19-15-17(29-2)4-5-18(19)30-3/h4-5,14-15H,6-13H2,1-3H3
InChIKeyGIGPEUVYCBRADP-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.15
Rot. Bonds6

About 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 27477893) has the molecular formula C21H29N5O5S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID27477893
Molecular FormulaC21H29N5O5S
Molecular Weight463.56 g/mol
Exact Mass463.19
IUPAC Name4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C21H29N5O5S/c1-16-14-20(24-10-12-31-13-11-24)23-21(22-16)25-6-8-26(9-7-25)32(27,28)19-15-17(29-2)4-5-18(19)30-3/h4-5,14-15H,6-13H2,1-3H3
InChIKeyGIGPEUVYCBRADP-UHFFFAOYSA-N
XLogP1.15
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27475852
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
2-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 50945939
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154829
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
2-[4-(5-chloro-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 18566594
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (CID 27477893) is 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1.
What is the InChIKey of 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is GIGPEUVYCBRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5S/c1-16-14-20(24-10-12-31-13-11-24)23-21(22-16)25-6-8-26(9-7-25)32(27,28)19-15-17(29-2)4-5-18(19)30-3/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 463.56 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 27477893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).