4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine

C20H26ClN5O2 — CID 46133605

IUPAC4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
SMILESClc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)cc1
InChIInChI=1S/C20H26ClN5O2/c21-17-1-3-18(4-2-17)28-20-15-19(22-16-23-20)26-9-7-24(8-10-26)5-6-25-11-13-27-14-12-25/h1-4,15-16H,5-14H2
InChIKeyKFKZVNNUYBWROD-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.38
Rot. Bonds6

About 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine (PubChem CID 46133605) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
PubChem CID46133605
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
SMILESClc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)cc1
InChIInChI=1S/C20H26ClN5O2/c21-17-1-3-18(4-2-17)28-20-15-19(22-16-23-20)26-9-7-24(8-10-26)5-6-25-11-13-27-14-12-25/h1-4,15-16H,5-14H2
InChIKeyKFKZVNNUYBWROD-UHFFFAOYSA-N
XLogP2.38
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
CID 83289253
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
2-[4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 83289948
1-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone
CID 24715593
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 171348439
4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
CID 58917079
1-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenoxyethanone
CID 83281247
1-[(2S)-4-[6-(4-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenoxyethanone
CID 93296532

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine (CID 46133605) is 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine is Clc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)cc1.
What is the InChIKey of 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is KFKZVNNUYBWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c21-17-1-3-18(4-2-17)28-20-15-19(22-16-23-20)26-9-7-24(8-10-26)5-6-25-11-13-27-14-12-25/h1-4,15-16H,5-14H2.
What are the key properties of 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 403.91 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 46133605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).