2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine

C17H20FN3O — CID 133363508

IUPAC2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
SMILESCc1nc(C)c(C)c(N2CCOC(c3ccccc3F)C2)n1
InChIInChI=1S/C17H20FN3O/c1-11-12(2)19-13(3)20-17(11)21-8-9-22-16(10-21)14-6-4-5-7-15(14)18/h4-7,16H,8-10H2,1-3H3
InChIKeyHJNOGUNAZCSPDN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.12
Rot. Bonds2

About 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine

2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine (PubChem CID 133363508) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
PubChem CID133363508
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
SMILESCc1nc(C)c(C)c(N2CCOC(c3ccccc3F)C2)n1
InChIInChI=1S/C17H20FN3O/c1-11-12(2)19-13(3)20-17(11)21-8-9-22-16(10-21)14-6-4-5-7-15(14)18/h4-7,16H,8-10H2,1-3H3
InChIKeyHJNOGUNAZCSPDN-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine (CID 133363508) is 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine is Cc1nc(C)c(C)c(N2CCOC(c3ccccc3F)C2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine?
The InChIKey is HJNOGUNAZCSPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-12(2)19-13(3)20-17(11)21-8-9-22-16(10-21)14-6-4-5-7-15(14)18/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine?
2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine has a molecular weight of 301.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 133363508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).