N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine

C21H25N5O2S — CID 53047728

IUPACN-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C21H25N5O2S/c1-3-22-21-23-16(2)14-20(24-21)25-10-12-26(13-11-25)29(27,28)19-9-8-17-6-4-5-7-18(17)15-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23,24)
InChIKeyYOUVTMPZVHILKW-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine

N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 53047728) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID53047728
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C21H25N5O2S/c1-3-22-21-23-16(2)14-20(24-21)25-10-12-26(13-11-25)29(27,28)19-9-8-17-6-4-5-7-18(17)15-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23,24)
InChIKeyYOUVTMPZVHILKW-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047736
N-ethyl-4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 122351272
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047734
N-ethyl-4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 56699594
N-ethyl-4-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122351275
4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 53093497
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351198
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351238
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 56919709
4-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047786
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine (CID 53047728) is N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine is CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is YOUVTMPZVHILKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-22-21-23-16(2)14-20(24-21)25-10-12-26(13-11-25)29(27,28)19-9-8-17-6-4-5-7-18(17)15-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 411.53 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 53047728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).