4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine

C19H26N4O5S — CID 42473902

IUPAC4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
SMILESCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O5S/c1-5-28-19-13-18(20-14(2)21-19)22-8-10-23(11-9-22)29(24,25)15-6-7-16(26-3)17(12-15)27-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyDAKWEZZRFCCJIZ-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.71
Rot. Bonds7

About 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine

4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine (PubChem CID 42473902) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
PubChem CID42473902
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Name4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
SMILESCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O5S/c1-5-28-19-13-18(20-14(2)21-19)22-8-10-23(11-9-22)29(24,25)15-6-7-16(26-3)17(12-15)27-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyDAKWEZZRFCCJIZ-UHFFFAOYSA-N
XLogP1.71
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 122340750
6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348613
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 56699214
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035278
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
CID 108781202
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine (CID 42473902) is 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine is CCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine?
The InChIKey is DAKWEZZRFCCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-5-28-19-13-18(20-14(2)21-19)22-8-10-23(11-9-22)29(24,25)15-6-7-16(26-3)17(12-15)27-4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine?
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine has a molecular weight of 422.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine is sourced from PubChem (CID 42473902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).