4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C22H24N4O3S — CID 90517128

IUPAC4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ncn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-17-3-9-20(10-4-17)30(27,28)26-13-11-25(12-14-26)22-15-21(23-16-24-22)18-5-7-19(29-2)8-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyRYGVVVHFOVUOLT-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.97
Rot. Bonds5

About 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 90517128) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID90517128
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ncn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-17-3-9-20(10-4-17)30(27,28)26-13-11-25(12-14-26)22-15-21(23-16-24-22)18-5-7-19(29-2)8-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyRYGVVVHFOVUOLT-UHFFFAOYSA-N
XLogP2.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071560
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107473
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921466
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 53071564
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 90517128) is 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine is COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ncn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is RYGVVVHFOVUOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-17-3-9-20(10-4-17)30(27,28)26-13-11-25(12-14-26)22-15-21(23-16-24-22)18-5-7-19(29-2)8-6-18/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 424.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 90517128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).