4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C16H27N5O3S — CID 70703503

IUPAC4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCCCS(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H27N5O3S/c1-2-3-14-25(22,23)21-8-6-19(7-9-21)15-4-5-17-16(18-15)20-10-12-24-13-11-20/h4-5H,2-3,6-14H2,1H3
InChIKeyRSQOSDQWOMPIIQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.57
Rot. Bonds6

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

4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 70703503) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID70703503
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCCCS(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H27N5O3S/c1-2-3-14-25(22,23)21-8-6-19(7-9-21)15-4-5-17-16(18-15)20-10-12-24-13-11-20/h4-5H,2-3,6-14H2,1H3
InChIKeyRSQOSDQWOMPIIQ-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(1-Methoxy-ethyl)-pyrimidin-4-yl]-piperazine-1-sulfonic acid dimethylamide
CID 11056575
4-[5-Bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134134575
4-[5-Bromo-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134131969
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(piperidin-1-yl)pyrimidine
CID 70703102
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
2-(Piperidin-1-yl)-4-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 70703711
4-[2-(4-Pyrimidin-4-ylpiperazin-1-yl)ethyl]morpholine
CID 72867087
4-(2-Morpholin-4-ylpyrimidin-4-yl)morpholine
CID 239978
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 75422017
N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97125250
(4aR*,7aS*)-1-[2-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133125113
N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 136516363

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 70703503) is 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is CCCCS(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is RSQOSDQWOMPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-2-3-14-25(22,23)21-8-6-19(7-9-21)15-4-5-17-16(18-15)20-10-12-24-13-11-20/h4-5H,2-3,6-14H2,1H3.
What are the key properties of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70703503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).