4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C24H28N4O3S — CID 53071564

IUPAC4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(OC)c4)ncn3)CC2)cc1
InChIInChI=1S/C24H28N4O3S/c1-3-5-19-8-10-22(11-9-19)32(29,30)28-14-12-27(13-15-28)24-17-23(25-18-26-24)20-6-4-7-21(16-20)31-2/h4,6-11,16-18H,3,5,12-15H2,1-2H3
InChIKeyAMPZMLFNPUDKMY-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.62
Rot. Bonds7

About 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine

4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 53071564) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID53071564
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(OC)c4)ncn3)CC2)cc1
InChIInChI=1S/C24H28N4O3S/c1-3-5-19-8-10-22(11-9-19)32(29,30)28-14-12-27(13-15-28)24-17-23(25-18-26-24)20-6-4-7-21(16-20)31-2/h4,6-11,16-18H,3,5,12-15H2,1-2H3
InChIKeyAMPZMLFNPUDKMY-UHFFFAOYSA-N
XLogP3.62
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071560
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071556
4-[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 131841726
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107473
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
3-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyridazine
CID 121060684
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107412
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 95084678

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 53071564) is 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine is CCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(OC)c4)ncn3)CC2)cc1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is AMPZMLFNPUDKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-5-19-8-10-22(11-9-19)32(29,30)28-14-12-27(13-15-28)24-17-23(25-18-26-24)20-6-4-7-21(16-20)31-2/h4,6-11,16-18H,3,5,12-15H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 452.58 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 53071564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).