4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one

C21H19ClF2N4O4 — CID 121448383

IUPAC4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
SMILESCn1c(N2CCOCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)nc3)c(F)c2)nc1=O
InChIInChI=1S/C21H19ClF2N4O4/c1-27-19(28-4-6-30-7-5-28)10-18(26-21(27)29)31-12-13-8-15(23)20(16(24)9-13)32-14-2-3-17(22)25-11-14/h2-3,8-11H,4-7,12H2,1H3
InChIKeyIGPQBPLBNDZEQL-UHFFFAOYSA-N
MW464.86 g/mol
LogP3.31
Rot. Bonds6

About 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one

4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one (PubChem CID 121448383) has the molecular formula C21H19ClF2N4O4 and a molecular weight of 464.86 g/mol. Its IUPAC name is 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
PubChem CID121448383
Molecular FormulaC21H19ClF2N4O4
Molecular Weight464.86 g/mol
Exact Mass464.11
IUPAC Name4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
SMILESCn1c(N2CCOCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)nc3)c(F)c2)nc1=O
InChIInChI=1S/C21H19ClF2N4O4/c1-27-19(28-4-6-30-7-5-28)10-18(26-21(27)29)31-12-13-8-15(23)20(16(24)9-13)32-14-2-3-17(22)25-11-14/h2-3,8-11H,4-7,12H2,1H3
InChIKeyIGPQBPLBNDZEQL-UHFFFAOYSA-N
XLogP3.31
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
The IUPAC name of 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one (CID 121448383) is 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one.
What is the SMILES notation for 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
The canonical SMILES for 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one is Cn1c(N2CCOCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)nc3)c(F)c2)nc1=O.
What is the InChIKey of 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
The InChIKey is IGPQBPLBNDZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O4/c1-27-19(28-4-6-30-7-5-28)10-18(26-21(27)29)31-12-13-8-15(23)20(16(24)9-13)32-14-2-3-17(22)25-11-14/h2-3,8-11H,4-7,12H2,1H3.
What are the key properties of 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one has a molecular weight of 464.86 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one is sourced from PubChem (CID 121448383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).