4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine

C25H21FN4O — CID 5091017

IUPAC4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2cncc(-c3cc(N4CCOCC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C25H21FN4O/c26-22-8-6-18(7-9-22)20-14-21(17-27-16-20)23-15-24(30-10-12-31-13-11-30)29-25(28-23)19-4-2-1-3-5-19/h1-9,14-17H,10-13H2
InChIKeyLUHYKOSKXZQYMD-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.85
Rot. Bonds4

About 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine

4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 5091017) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
PubChem CID5091017
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2cncc(-c3cc(N4CCOCC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C25H21FN4O/c26-22-8-6-18(7-9-22)20-14-21(17-27-16-20)23-15-24(30-10-12-31-13-11-30)29-25(28-23)19-4-2-1-3-5-19/h1-9,14-17H,10-13H2
InChIKeyLUHYKOSKXZQYMD-UHFFFAOYSA-N
XLogP4.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine (CID 5091017) is 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine is Fc1ccc(-c2cncc(-c3cc(N4CCOCC4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is LUHYKOSKXZQYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c26-22-8-6-18(7-9-22)20-14-21(17-27-16-20)23-15-24(30-10-12-31-13-11-30)29-25(28-23)19-4-2-1-3-5-19/h1-9,14-17H,10-13H2.
What are the key properties of 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine?
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 412.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 5091017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).