2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C20H18ClFN4O2 — CID 59794037

IUPAC2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(c3ccc(F)cc3Cl)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C20H18ClFN4O2/c1-25-19(27)11-17(13-4-6-23-7-5-13)24-20(25)26-8-9-28-18(12-26)15-3-2-14(22)10-16(15)21/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyYRRLUPVLHWGESV-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.21
Rot. Bonds3

About 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794037) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794037
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(c3ccc(F)cc3Cl)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C20H18ClFN4O2/c1-25-19(27)11-17(13-4-6-23-7-5-13)24-20(25)26-8-9-28-18(12-26)15-3-2-14(22)10-16(15)21/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyYRRLUPVLHWGESV-UHFFFAOYSA-N
XLogP3.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59794037) is 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCOC(c3ccc(F)cc3Cl)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is YRRLUPVLHWGESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-25-19(27)11-17(13-4-6-23-7-5-13)24-20(25)26-8-9-28-18(12-26)15-3-2-14(22)10-16(15)21/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 400.84 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).