4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

C19H24FN5O3S — CID 50947561

IUPAC4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24FN5O3S/c1-15-13-18(22-19(21-15)24-9-11-28-12-10-24)23-5-7-25(8-6-23)29(26,27)17-4-2-3-16(20)14-17/h2-4,13-14H,5-12H2,1H3
InChIKeyCKMGDNPFQFNNFH-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.27
Rot. Bonds4

About 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (PubChem CID 50947561) has the molecular formula C19H24FN5O3S and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
PubChem CID50947561
Molecular FormulaC19H24FN5O3S
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24FN5O3S/c1-15-13-18(22-19(21-15)24-9-11-28-12-10-24)23-5-7-25(8-6-23)29(26,27)17-4-2-3-16(20)14-17/h2-4,13-14H,5-12H2,1H3
InChIKeyCKMGDNPFQFNNFH-UHFFFAOYSA-N
XLogP1.27
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 122340119
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 53093477
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333702
1-[3-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 122333157
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (CID 50947561) is 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is CKMGDNPFQFNNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S/c1-15-13-18(22-19(21-15)24-9-11-28-12-10-24)23-5-7-25(8-6-23)29(26,27)17-4-2-3-16(20)14-17/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 421.50 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 50947561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).