4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C18H24N6O3S — CID 50945868

IUPAC4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O3S/c1-15-13-17(21-18(20-15)23-9-11-27-12-10-23)22-5-7-24(8-6-22)28(25,26)16-3-2-4-19-14-16/h2-4,13-14H,5-12H2,1H3
InChIKeyFGBJKHAADLHWQQ-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.53
Rot. Bonds4

About 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 50945868) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID50945868
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O3S/c1-15-13-17(21-18(20-15)23-9-11-27-12-10-23)22-5-7-24(8-6-22)28(25,26)16-3-2-4-19-14-16/h2-4,13-14H,5-12H2,1H3
InChIKeyFGBJKHAADLHWQQ-UHFFFAOYSA-N
XLogP0.53
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 50947561
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978
1-[3-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 122340119
4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340139
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
N-ethyl-4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 56699594
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 50945868) is 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is FGBJKHAADLHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-15-13-17(21-18(20-15)23-9-11-27-12-10-23)22-5-7-24(8-6-22)28(25,26)16-3-2-4-19-14-16/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 404.50 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 50945868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).