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

C21H19FN4O2 — CID 56875070

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESNc1ncc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c(-c2ccccc2)n1
InChIInChI=1S/C21H19FN4O2/c22-16-8-6-14(7-9-16)18-13-26(10-11-28-18)20(27)17-12-24-21(23)25-19(17)15-4-2-1-3-5-15/h1-9,12,18H,10-11,13H2,(H2,23,24,25)
InChIKeyZTNUMUBAIVVCEJ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.08
Rot. Bonds3

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

(2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 56875070) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID56875070
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESNc1ncc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c(-c2ccccc2)n1
InChIInChI=1S/C21H19FN4O2/c22-16-8-6-14(7-9-16)18-13-26(10-11-28-18)20(27)17-12-24-21(23)25-19(17)15-4-2-1-3-5-15/h1-9,12,18H,10-11,13H2,(H2,23,24,25)
InChIKeyZTNUMUBAIVVCEJ-UHFFFAOYSA-N
XLogP3.08
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-4-phenylpyrimidin-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-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 56875070) is (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is Nc1ncc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c(-c2ccccc2)n1.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is ZTNUMUBAIVVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-8-6-14(7-9-16)18-13-26(10-11-28-18)20(27)17-12-24-21(23)25-19(17)15-4-2-1-3-5-15/h1-9,12,18H,10-11,13H2,(H2,23,24,25).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 378.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56875070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).