4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine

C21H21FN4O — CID 133290851

IUPAC4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine
SMILESCc1nc(-c2ccccn2)nc(N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C21H21FN4O/c1-14-15(2)24-20(18-5-3-4-10-23-18)25-21(14)26-11-12-27-19(13-26)16-6-8-17(22)9-7-16/h3-10,19H,11-13H2,1-2H3
InChIKeyMYWPYMPRZNGQAX-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.87
Rot. Bonds3

About 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine

4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine (PubChem CID 133290851) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine
PubChem CID133290851
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine
SMILESCc1nc(-c2ccccn2)nc(N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C21H21FN4O/c1-14-15(2)24-20(18-5-3-4-10-23-18)25-21(14)26-11-12-27-19(13-26)16-6-8-17(22)9-7-16/h3-10,19H,11-13H2,1-2H3
InChIKeyMYWPYMPRZNGQAX-UHFFFAOYSA-N
XLogP3.87
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine 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 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine (CID 133290851) is 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine is Cc1nc(-c2ccccn2)nc(N2CCOC(c3ccc(F)cc3)C2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine?
The InChIKey is MYWPYMPRZNGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-15(2)24-20(18-5-3-4-10-23-18)25-21(14)26-11-12-27-19(13-26)16-6-8-17(22)9-7-16/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine?
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine has a molecular weight of 364.42 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 133290851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).