4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

C16H23N7O3S — CID 122340139

IUPAC4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H23N7O3S/c1-13-10-14(20-16(19-13)22-6-8-26-9-7-22)21-2-4-23(5-3-21)27(24,25)15-11-17-12-18-15/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyWMYQMDJNYQAJEA-UHFFFAOYSA-N
MW393.47 g/mol
LogP-0.14
Rot. Bonds4

About 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (PubChem CID 122340139) has the molecular formula C16H23N7O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
PubChem CID122340139
Molecular FormulaC16H23N7O3S
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC Name4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H23N7O3S/c1-13-10-14(20-16(19-13)22-6-8-26-9-7-22)21-2-4-23(5-3-21)27(24,25)15-11-17-12-18-15/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyWMYQMDJNYQAJEA-UHFFFAOYSA-N
XLogP-0.14
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 122346272
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333697
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
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-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
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-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (CID 122340139) is 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is Cc1cc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is WMYQMDJNYQAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3S/c1-13-10-14(20-16(19-13)22-6-8-26-9-7-22)21-2-4-23(5-3-21)27(24,25)15-11-17-12-18-15/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 393.47 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 122340139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).