6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine

C26H27N5O2S — CID 134410110

IUPAC6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccc5ccccc5c4)n3)CC2)cc1
InChIInChI=1S/C26H27N5O2S/c1-19-7-11-24(12-8-19)34(32,33)31-15-13-30(14-16-31)26-27-20(2)17-25(29-26)28-23-10-9-21-5-3-4-6-22(21)18-23/h3-12,17-18H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyJTVJSNNVIKCMAF-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.50
Rot. Bonds5

About 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine

6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine (PubChem CID 134410110) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
PubChem CID134410110
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccc5ccccc5c4)n3)CC2)cc1
InChIInChI=1S/C26H27N5O2S/c1-19-7-11-24(12-8-19)34(32,33)31-15-13-30(14-16-31)26-27-20(2)17-25(29-26)28-23-10-9-21-5-3-4-6-22(21)18-23/h3-12,17-18H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyJTVJSNNVIKCMAF-UHFFFAOYSA-N
XLogP4.50
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
6-methyl-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 22585381
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130
2-(4-cyclopropylsulfonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346493
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122632244
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 122624212
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 53093477
2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122549460
6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122346524

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine (CID 134410110) is 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccc5ccccc5c4)n3)CC2)cc1.
What is the InChIKey of 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine?
The InChIKey is JTVJSNNVIKCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-19-7-11-24(12-8-19)34(32,33)31-15-13-30(14-16-31)26-27-20(2)17-25(29-26)28-23-10-9-21-5-3-4-6-22(21)18-23/h3-12,17-18H,13-16H2,1-2H3,(H,27,28,29).
What are the key properties of 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine?
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine has a molecular weight of 473.60 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 134410110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).