4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

C19H29N7O3S — CID 122333697

IUPAC4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)nc1C
InChIInChI=1S/C19H29N7O3S/c1-4-23-14-18(21-16(23)3)30(27,28)26-7-5-25(6-8-26)19-20-15(2)13-17(22-19)24-9-11-29-12-10-24/h13-14H,4-12H2,1-3H3
InChIKeyJSVBCDVJEFSZQZ-UHFFFAOYSA-N
MW435.55 g/mol
LogP0.66
Rot. Bonds5

About 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 122333697) has the molecular formula C19H29N7O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID122333697
Molecular FormulaC19H29N7O3S
Molecular Weight435.55 g/mol
Exact Mass435.21
IUPAC Name4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)nc1C
InChIInChI=1S/C19H29N7O3S/c1-4-23-14-18(21-16(23)3)30(27,28)26-7-5-25(6-8-26)19-20-15(2)13-17(22-19)24-9-11-29-12-10-24/h13-14H,4-12H2,1-3H3
InChIKeyJSVBCDVJEFSZQZ-UHFFFAOYSA-N
XLogP0.66
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904
4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340139
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 50947561
4-[2-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27475852
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (CID 122333697) is 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is CCn1cc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)nc1C.
What is the InChIKey of 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is JSVBCDVJEFSZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O3S/c1-4-23-14-18(21-16(23)3)30(27,28)26-7-5-25(6-8-26)19-20-15(2)13-17(22-19)24-9-11-29-12-10-24/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 435.55 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 122333697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).