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

C19H24IN5O3S — CID 122340961

IUPAC4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1
InChIInChI=1S/C19H24IN5O3S/c1-15-21-18(14-19(22-15)24-10-12-28-13-11-24)23-6-8-25(9-7-23)29(26,27)17-4-2-16(20)3-5-17/h2-5,14H,6-13H2,1H3
InChIKeyUIPPUMDUWIAUFI-UHFFFAOYSA-N
MW529.40 g/mol
LogP1.74
Rot. Bonds4

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

4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 122340961) has the molecular formula C19H24IN5O3S and a molecular weight of 529.40 g/mol. Its IUPAC name is 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID122340961
Molecular FormulaC19H24IN5O3S
Molecular Weight529.40 g/mol
Exact Mass529.06
IUPAC Name4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1
InChIInChI=1S/C19H24IN5O3S/c1-15-21-18(14-19(22-15)24-10-12-28-13-11-24)23-6-8-25(9-7-23)29(26,27)17-4-2-16(20)3-5-17/h2-5,14H,6-13H2,1H3
InChIKeyUIPPUMDUWIAUFI-UHFFFAOYSA-N
XLogP1.74
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632
4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 46268045
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122340941
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896378
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 46268139
N-ethyl-4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 122351272
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342549
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
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-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (CID 122340961) is 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1.
What is the InChIKey of 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is UIPPUMDUWIAUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN5O3S/c1-15-21-18(14-19(22-15)24-10-12-28-13-11-24)23-6-8-25(9-7-23)29(26,27)17-4-2-16(20)3-5-17/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 529.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 122340961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).