4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine

C19H26N4O4S — CID 42474017

IUPAC4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
SMILESCCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O4S/c1-4-13-27-19-14-18(20-15(2)21-19)22-9-11-23(12-10-22)28(24,25)17-7-5-16(26-3)6-8-17/h5-8,14H,4,9-13H2,1-3H3
InChIKeyJNIXKXGGJQVPMP-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.09
Rot. Bonds7

About 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine (PubChem CID 42474017) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
PubChem CID42474017
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
SMILESCCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O4S/c1-4-13-27-19-14-18(20-15(2)21-19)22-9-11-23(12-10-22)28(24,25)17-7-5-16(26-3)6-8-17/h5-8,14H,4,9-13H2,1-3H3
InChIKeyJNIXKXGGJQVPMP-UHFFFAOYSA-N
XLogP2.09
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 42474065
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345029
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035207
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345028
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine?
The IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine (CID 42474017) is 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine is CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine?
The InChIKey is JNIXKXGGJQVPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-13-27-19-14-18(20-15(2)21-19)22-9-11-23(12-10-22)28(24,25)17-7-5-16(26-3)6-8-17/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine?
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine has a molecular weight of 406.51 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine is sourced from PubChem (CID 42474017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).