2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine

C17H23N5O2S — CID 53093475

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C17H23N5O2S/c1-3-25(23,24)22-11-9-21(10-12-22)17-18-14(2)13-16(20-17)19-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20)
InChIKeyHLFHMBKPBHZJEI-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine

2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine (PubChem CID 53093475) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
PubChem CID53093475
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C17H23N5O2S/c1-3-25(23,24)22-11-9-21(10-12-22)17-18-14(2)13-16(20-17)19-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20)
InChIKeyHLFHMBKPBHZJEI-UHFFFAOYSA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 27463460
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 53093477
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346504
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031763
2-(4-cyclopropylsulfonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346493
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122346744
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130
(E)-1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121031758

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine (CID 53093475) is 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine is CCS(=O)(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is HLFHMBKPBHZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-25(23,24)22-11-9-21(10-12-22)17-18-14(2)13-16(20-17)19-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine?
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 53093475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).