4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine

C24H27ClN6O2 — CID 110150199

IUPAC4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESClc1cccc(Oc2nccnc2C2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C24H27ClN6O2/c25-19-4-1-5-21(15-19)33-23-22(26-8-9-27-23)18-3-2-10-30(16-18)17-20-6-7-28-24(29-20)31-11-13-32-14-12-31/h1,4-9,15,18H,2-3,10-14,16-17H2
InChIKeyDLAZYNXEELVJCF-UHFFFAOYSA-N
MW466.97 g/mol
LogP3.93
Rot. Bonds6

About 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine

4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine (PubChem CID 110150199) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
PubChem CID110150199
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC Name4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESClc1cccc(Oc2nccnc2C2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C24H27ClN6O2/c25-19-4-1-5-21(15-19)33-23-22(26-8-9-27-23)18-3-2-10-30(16-18)17-20-6-7-28-24(29-20)31-11-13-32-14-12-31/h1,4-9,15,18H,2-3,10-14,16-17H2
InChIKeyDLAZYNXEELVJCF-UHFFFAOYSA-N
XLogP3.93
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine (CID 110150199) is 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine is Clc1cccc(Oc2nccnc2C2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The InChIKey is DLAZYNXEELVJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c25-19-4-1-5-21(15-19)33-23-22(26-8-9-27-23)18-3-2-10-30(16-18)17-20-6-7-28-24(29-20)31-11-13-32-14-12-31/h1,4-9,15,18H,2-3,10-14,16-17H2.
What are the key properties of 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine?
4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine has a molecular weight of 466.97 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 110150199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).