N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine

C20H27N5O2S — CID 122340410

IUPACN,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C20H27N5O2S/c1-16-5-7-18(8-6-16)9-14-28(26,27)25-12-10-24(11-13-25)20-15-19(23(3)4)21-17(2)22-20/h5-9,14-15H,10-13H2,1-4H3/b14-9+
InChIKeyHNVCRWYYPGOHGI-NTEUORMPSA-N
MW401.54 g/mol
LogP2.28
Rot. Bonds5

About N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine

N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine (PubChem CID 122340410) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
PubChem CID122340410
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C20H27N5O2S/c1-16-5-7-18(8-6-16)9-14-28(26,27)25-12-10-24(11-13-25)20-15-19(23(3)4)21-17(2)22-20/h5-9,14-15H,10-13H2,1-4H3/b14-9+
InChIKeyHNVCRWYYPGOHGI-NTEUORMPSA-N
XLogP2.28
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338122
N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122340459
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340437
4-(2-methylimidazol-1-yl)-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338878
6-[4-[2-(4-methylphenyl)ethenylsulfonyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 71961435
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 50748470
3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 121060791
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259
3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340404
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine (CID 122340410) is N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine is Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1.
What is the InChIKey of N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The InChIKey is HNVCRWYYPGOHGI-NTEUORMPSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-16-5-7-18(8-6-16)9-14-28(26,27)25-12-10-24(11-13-25)20-15-19(23(3)4)21-17(2)22-20/h5-9,14-15H,10-13H2,1-4H3/b14-9+.
What are the key properties of N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine has a molecular weight of 401.54 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122340410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).