4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide

C22H20FN5O4 — CID 71283308

IUPAC4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H20FN5O4/c23-14-3-7-16(8-4-14)32-15-5-1-13(2-6-15)22-26-17(20(24)29)11-19(27-22)28-9-10-31-12-18(28)21(25)30/h1-8,11,18H,9-10,12H2,(H2,24,29)(H2,25,30)
InChIKeyRAXSCIQUOWLHGV-UHFFFAOYSA-N
MW437.43 g/mol
LogP1.86
Rot. Bonds6

About 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide

4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 71283308) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID71283308
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H20FN5O4/c23-14-3-7-16(8-4-14)32-15-5-1-13(2-6-15)22-26-17(20(24)29)11-19(27-22)28-9-10-31-12-18(28)21(25)30/h1-8,11,18H,9-10,12H2,(H2,24,29)(H2,25,30)
InChIKeyRAXSCIQUOWLHGV-UHFFFAOYSA-N
XLogP1.86
TPSA133.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide (CID 71283308) is 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide is NC(=O)c1cc(N2CCOCC2C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is RAXSCIQUOWLHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c23-14-3-7-16(8-4-14)32-15-5-1-13(2-6-15)22-26-17(20(24)29)11-19(27-22)28-9-10-31-12-18(28)21(25)30/h1-8,11,18H,9-10,12H2,(H2,24,29)(H2,25,30).
What are the key properties of 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide?
4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 71283308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).