6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine

C19H27N5O2S — CID 122351622

IUPAC6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)nc(C)n1
InChIInChI=1S/C19H27N5O2S/c1-5-20-18-13-19(22-16(4)21-18)23-8-10-24(11-9-23)27(25,26)17-7-6-14(2)12-15(17)3/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,21,22)
InChIKeyJLXGVBOAJVRKAV-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.34
Rot. Bonds5

About 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine

6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 122351622) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID122351622
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)nc(C)n1
InChIInChI=1S/C19H27N5O2S/c1-5-20-18-13-19(22-16(4)21-18)23-8-10-24(11-9-23)27(25,26)17-7-6-14(2)12-15(17)3/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,21,22)
InChIKeyJLXGVBOAJVRKAV-UHFFFAOYSA-N
XLogP2.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342293
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351859
6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351823
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566578
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 17455626
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047743
N-ethyl-6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 122351832
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348823

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine (CID 122351622) is 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)nc(C)n1.
What is the InChIKey of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is JLXGVBOAJVRKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-5-20-18-13-19(22-16(4)21-18)23-8-10-24(11-9-23)27(25,26)17-7-6-14(2)12-15(17)3/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,21,22).
What are the key properties of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine?
6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 389.53 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 122351622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).