4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C14H24N6O2S — CID 56922206

IUPAC4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)CC1
InChIInChI=1S/C14H24N6O2S/c1-17-3-5-18(6-4-17)13-11-14(16-12-15-13)19-7-9-20(10-8-19)23(2,21)22/h11-12H,3-10H2,1-2H3
InChIKeyOONPMKHNRIFZKF-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.69
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 56922206) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID56922206
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)CC1
InChIInChI=1S/C14H24N6O2S/c1-17-3-5-18(6-4-17)13-11-14(16-12-15-13)19-7-9-20(10-8-19)23(2,21)22/h11-12H,3-10H2,1-2H3
InChIKeyOONPMKHNRIFZKF-UHFFFAOYSA-N
XLogP-0.69
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80914226
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343615
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
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-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343646
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
1-(6-cyclobutylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435367
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343620

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 56922206) is 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is OONPMKHNRIFZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-17-3-5-18(6-4-17)13-11-14(16-12-15-13)19-7-9-20(10-8-19)23(2,21)22/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 340.45 g/mol, XLogP of -0.69, 3 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-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 56922206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).