4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine

C23H28N6O2S — CID 122343389

IUPAC4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ncn2)CC1
InChIInChI=1S/C23H28N6O2S/c1-26-8-10-27(11-9-26)22-17-23(25-18-24-22)28-12-14-29(15-13-28)32(30,31)21-7-6-19-4-2-3-5-20(19)16-21/h2-7,16-18H,8-15H2,1H3
InChIKeyFIHZYVWXUKCDQI-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.89
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine

4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 122343389) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID122343389
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ncn2)CC1
InChIInChI=1S/C23H28N6O2S/c1-26-8-10-27(11-9-26)22-17-23(25-18-24-22)28-12-14-29(15-13-28)32(30,31)21-7-6-19-4-2-3-5-20(19)16-21/h2-7,16-18H,8-15H2,1H3
InChIKeyFIHZYVWXUKCDQI-UHFFFAOYSA-N
XLogP1.89
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343646
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine (CID 122343389) is 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ncn2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is FIHZYVWXUKCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-26-8-10-27(11-9-26)22-17-23(25-18-24-22)28-12-14-29(15-13-28)32(30,31)21-7-6-19-4-2-3-5-20(19)16-21/h2-7,16-18H,8-15H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 452.58 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 122343389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).