4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine

C16H17FN4O — CID 2219395

IUPAC4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine
SMILESFc1cnc(N2CCOCC2)nc1N1CCc2ccccc21
InChIInChI=1S/C16H17FN4O/c17-13-11-18-16(20-7-9-22-10-8-20)19-15(13)21-6-5-12-3-1-2-4-14(12)21/h1-4,11H,5-10H2
InChIKeyUZDBJSPYNWAVMX-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.15
Rot. Bonds2

About 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine

4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine (PubChem CID 2219395) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine
PubChem CID2219395
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine
SMILESFc1cnc(N2CCOCC2)nc1N1CCc2ccccc21
InChIInChI=1S/C16H17FN4O/c17-13-11-18-16(20-7-9-22-10-8-20)19-15(13)21-6-5-12-3-1-2-4-14(12)21/h1-4,11H,5-10H2
InChIKeyUZDBJSPYNWAVMX-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine (CID 2219395) is 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine is Fc1cnc(N2CCOCC2)nc1N1CCc2ccccc21.
What is the InChIKey of 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine?
The InChIKey is UZDBJSPYNWAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-11-18-16(20-7-9-22-10-8-20)19-15(13)21-6-5-12-3-1-2-4-14(12)21/h1-4,11H,5-10H2.
What are the key properties of 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine?
4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine has a molecular weight of 300.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine is sourced from PubChem (CID 2219395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).