4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine

C23H28N6O4S — CID 122340941

IUPAC4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)n1
InChIInChI=1S/C23H28N6O4S/c1-17-24-22(15-23(25-17)28-11-13-32-14-12-28)27-7-9-29(10-8-27)34(30,31)20-5-3-19(4-6-20)21-16-33-18(2)26-21/h3-6,15-16H,7-14H2,1-2H3
InChIKeyXVOHOOVXKHZVSU-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.10
Rot. Bonds5

About 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 122340941) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID122340941
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC Name4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)n1
InChIInChI=1S/C23H28N6O4S/c1-17-24-22(15-23(25-17)28-11-13-32-14-12-28)27-7-9-29(10-8-27)34(30,31)20-5-3-19(4-6-20)21-16-33-18(2)26-21/h3-6,15-16H,7-14H2,1-2H3
InChIKeyXVOHOOVXKHZVSU-UHFFFAOYSA-N
XLogP2.10
TPSA104.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122345276
4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 122340961
2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348865
4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 46268045
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122335682
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226
6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347291

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine (CID 122340941) is 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)n1.
What is the InChIKey of 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is XVOHOOVXKHZVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-17-24-22(15-23(25-17)28-11-13-32-14-12-28)27-7-9-29(10-8-27)34(30,31)20-5-3-19(4-6-20)21-16-33-18(2)26-21/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 484.58 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 122340941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).