4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride

C17H21Cl2N3O2 — CID 66985501

IUPAC4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
SMILESCl.ClCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIInChI=1S/C17H20ClN3O2.ClH/c18-11-14-2-1-3-15(10-14)17-19-12-16(13-20-17)23-9-6-21-4-7-22-8-5-21;/h1-3,10,12-13H,4-9,11H2;1H
InChIKeyKGLDLKCIWXJUHS-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.02
Rot. Bonds6

About 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride

4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride (PubChem CID 66985501) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
PubChem CID66985501
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
SMILESCl.ClCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIInChI=1S/C17H20ClN3O2.ClH/c18-11-14-2-1-3-15(10-14)17-19-12-16(13-20-17)23-9-6-21-4-7-22-8-5-21;/h1-3,10,12-13H,4-9,11H2;1H
InChIKeyKGLDLKCIWXJUHS-UHFFFAOYSA-N
XLogP3.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 58289756
CID 58289690
CID 58289690
4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 90937313
5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
CID 88934760
3-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 46833194
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 68509959
2-[3-(chloromethyl)phenyl]-5-ethoxypyrimidine
CID 166876965
6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 46836396
N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline
CID 58289700
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide
CID 90753862
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride (CID 66985501) is 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride is Cl.ClCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1.
What is the InChIKey of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride?
The InChIKey is KGLDLKCIWXJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.ClH/c18-11-14-2-1-3-15(10-14)17-19-12-16(13-20-17)23-9-6-21-4-7-22-8-5-21;/h1-3,10,12-13H,4-9,11H2;1H.
What are the key properties of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride?
4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride is sourced from PubChem (CID 66985501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).