4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine

C14H24N4O2S — CID 133309853

IUPAC4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCCCS(=O)(=O)N1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-4-5-12-21(19,20)18-10-8-17(9-11-18)14-15-7-6-13(2)16-14/h6-7H,3-5,8-12H2,1-2H3
InChIKeyMLFVDLWXWUMFJM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.43
Rot. Bonds6

About 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine

4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 133309853) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID133309853
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCCCS(=O)(=O)N1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-4-5-12-21(19,20)18-10-8-17(9-11-18)14-15-7-6-13(2)16-14/h6-7H,3-5,8-12H2,1-2H3
InChIKeyMLFVDLWXWUMFJM-UHFFFAOYSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-4-methylpyrimidine
CID 133386564
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
CID 133309388
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine (CID 133309853) is 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine is CCCCCS(=O)(=O)N1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is MLFVDLWXWUMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-4-5-12-21(19,20)18-10-8-17(9-11-18)14-15-7-6-13(2)16-14/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine?
4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 312.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 133309853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).