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

C20H25ClFN5O2 — CID 83289253

IUPAC4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
SMILESFc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)c(Cl)c1
InChIInChI=1S/C20H25ClFN5O2/c21-17-13-16(22)1-2-18(17)29-20-14-19(23-15-24-20)27-7-5-25(6-8-27)3-4-26-9-11-28-12-10-26/h1-2,13-15H,3-12H2
InChIKeyWNJRPPKIBORZSJ-UHFFFAOYSA-N
MW421.90 g/mol
LogP2.52
Rot. Bonds6

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

4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine (PubChem CID 83289253) has the molecular formula C20H25ClFN5O2 and a molecular weight of 421.90 g/mol. Its IUPAC name is 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
PubChem CID83289253
Molecular FormulaC20H25ClFN5O2
Molecular Weight421.90 g/mol
Exact Mass421.17
IUPAC Name4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
SMILESFc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)c(Cl)c1
InChIInChI=1S/C20H25ClFN5O2/c21-17-13-16(22)1-2-18(17)29-20-14-19(23-15-24-20)27-7-5-25(6-8-27)3-4-26-9-11-28-12-10-26/h1-2,13-15H,3-12H2
InChIKeyWNJRPPKIBORZSJ-UHFFFAOYSA-N
XLogP2.52
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
CID 46133605
3-chloro-1-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 83279849
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 91633841
1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
[(2S)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93297113
4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 24715570
6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid
CID 116820278
4-[3-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)propyl]morpholine
CID 42867771
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
(2R)-1-[(2S)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-ethylhexan-1-one
CID 93296768
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
2-[4-[2-amino-5-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 18432543

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine (CID 83289253) is 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine is Fc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)c(Cl)c1.
What is the InChIKey of 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is WNJRPPKIBORZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN5O2/c21-17-13-16(22)1-2-18(17)29-20-14-19(23-15-24-20)27-7-5-25(6-8-27)3-4-26-9-11-28-12-10-26/h1-2,13-15H,3-12H2.
What are the key properties of 4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 421.90 g/mol, XLogP of 2.52, 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-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 83289253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).