4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

C20H26FN5O3S — CID 122340159

IUPAC4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H26FN5O3S/c1-15-13-17(21)3-4-18(15)30(27,28)26-7-5-24(6-8-26)19-14-16(2)22-20(23-19)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3
InChIKeyBWACSYXQJOPRPV-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.58
Rot. Bonds4

About 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (PubChem CID 122340159) has the molecular formula C20H26FN5O3S and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
PubChem CID122340159
Molecular FormulaC20H26FN5O3S
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H26FN5O3S/c1-15-13-17(21)3-4-18(15)30(27,28)26-7-5-24(6-8-26)19-14-16(2)22-20(23-19)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3
InChIKeyBWACSYXQJOPRPV-UHFFFAOYSA-N
XLogP1.58
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 50947561
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
4-[2-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27475852
4-[4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 56923291
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27477893
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
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
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (CID 122340159) is 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is BWACSYXQJOPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O3S/c1-15-13-17(21)3-4-18(15)30(27,28)26-7-5-24(6-8-26)19-14-16(2)22-20(23-19)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 435.53 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 122340159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).