2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine

C15H14Cl2FN3O2 — CID 133292437

IUPAC2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine
SMILESCOc1ccnc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)n1
InChIInChI=1S/C15H14Cl2FN3O2/c1-22-14-2-3-19-15(20-14)21-4-5-23-13(8-21)9-6-12(18)11(17)7-10(9)16/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyXBUMZKICUALUNL-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.51
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine

2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine (PubChem CID 133292437) has the molecular formula C15H14Cl2FN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine
PubChem CID133292437
Molecular FormulaC15H14Cl2FN3O2
Molecular Weight358.20 g/mol
Exact Mass357.04
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine
SMILESCOc1ccnc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)n1
InChIInChI=1S/C15H14Cl2FN3O2/c1-22-14-2-3-19-15(20-14)21-4-5-23-13(8-21)9-6-12(18)11(17)7-10(9)16/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyXBUMZKICUALUNL-UHFFFAOYSA-N
XLogP3.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrimidine
CID 166626432
N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 44400947
4-N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 44401027
N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-dimethylpentane-1,5-diamine
CID 44401066
N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 44401087
N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-diethylethane-1,2-diamine
CID 44401153
5-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N,N-dimethylpyrimidin-2-amine
CID 145993870
2-(4-Chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine
CID 56862652
2-(4-Fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 56880270
5-[[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558452
(1E,3E)-2-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-4-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]-1-(methylideneamino)penta-1,3-dien-1-amine
CID 130238618
6-(2-chlorophenyl)-5-[(2Z)-2-ethylidene-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-1-pyridinyl]-3,6-dihydro-2H-pyran-4-amine
CID 134251152

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine (CID 133292437) is 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine is COc1ccnc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)n1.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine?
The InChIKey is XBUMZKICUALUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O2/c1-22-14-2-3-19-15(20-14)21-4-5-23-13(8-21)9-6-12(18)11(17)7-10(9)16/h2-3,6-7,13H,4-5,8H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine?
2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine has a molecular weight of 358.20 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 133292437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).