(2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C21H19FN4O2 — CID 56875189

IUPAC(2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-8-6-15(7-9-17)19-14-26(10-11-28-19)20(27)16-12-23-21(24-13-16)25-18-4-2-1-3-5-18/h1-9,12-13,19H,10-11,14H2,(H,23,24,25)
InChIKeyZZBADNJTBWDKTL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.57
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

(2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 56875189) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID56875189
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-8-6-15(7-9-17)19-14-26(10-11-28-19)20(27)16-12-23-21(24-13-16)25-18-4-2-1-3-5-18/h1-9,12-13,19H,10-11,14H2,(H,23,24,25)
InChIKeyZZBADNJTBWDKTL-UHFFFAOYSA-N
XLogP3.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 56875189) is (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is ZZBADNJTBWDKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-8-6-15(7-9-17)19-14-26(10-11-28-19)20(27)16-12-23-21(24-13-16)25-18-4-2-1-3-5-18/h1-9,12-13,19H,10-11,14H2,(H,23,24,25).
What are the key properties of (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 378.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56875189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).