4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C16H26N6O3S — CID 122344638

IUPAC4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESO=S(=O)(N1CCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N6O3S/c23-26(24,21-5-1-2-6-21)22-9-7-19(8-10-22)15-3-4-17-16(18-15)20-11-13-25-14-12-20/h3-4H,1-2,5-14H2
InChIKeyDQKGGBDUAXPZFJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.22
Rot. Bonds4

About 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 122344638) has the molecular formula C16H26N6O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID122344638
Molecular FormulaC16H26N6O3S
Molecular Weight382.49 g/mol
Exact Mass382.18
IUPAC Name4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESO=S(=O)(N1CCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N6O3S/c23-26(24,21-5-1-2-6-21)22-9-7-19(8-10-22)15-3-4-17-16(18-15)20-11-13-25-14-12-20/h3-4H,1-2,5-14H2
InChIKeyDQKGGBDUAXPZFJ-UHFFFAOYSA-N
XLogP-0.22
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 70703327
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
4-[4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 56923291
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344661
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344594
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343946

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 122344638) is 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is O=S(=O)(N1CCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is DQKGGBDUAXPZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3S/c23-26(24,21-5-1-2-6-21)22-9-7-19(8-10-22)15-3-4-17-16(18-15)20-11-13-25-14-12-20/h3-4H,1-2,5-14H2.
What are the key properties of 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 382.49 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 122344638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).