4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C16H27N5O3S — CID 50947472

IUPAC4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H27N5O3S/c1-3-12-25(22,23)21-6-4-19(5-7-21)15-13-14(2)17-16(18-15)20-8-10-24-11-9-20/h13H,3-12H2,1-2H3
InChIKeyFGUFDSCWPUZFBT-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.48
Rot. Bonds5

About 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 50947472) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID50947472
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H27N5O3S/c1-3-12-25(22,23)21-6-4-19(5-7-21)15-13-14(2)17-16(18-15)20-8-10-24-11-9-20/h13H,3-12H2,1-2H3
InChIKeyFGUFDSCWPUZFBT-UHFFFAOYSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660
4-[4-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340171
4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333697
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-methyl-2-piperidin-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 122339903
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340139

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 50947472) is 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is CCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is FGUFDSCWPUZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-3-12-25(22,23)21-6-4-19(5-7-21)15-13-14(2)17-16(18-15)20-8-10-24-11-9-20/h13H,3-12H2,1-2H3.
What are the key properties of 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 50947472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).