4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine

C24H26F4N4O2 — CID 123737381

IUPAC4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine
SMILESCCOCC1=C(CN2CCOCC2)NC(c2ccccn2)=NC1(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N4O2/c1-2-33-16-19-21(15-32-11-13-34-14-12-32)30-22(20-5-3-4-10-29-20)31-23(19,24(26,27)28)17-6-8-18(25)9-7-17/h3-10H,2,11-16H2,1H3,(H,30,31)
InChIKeyKPGWZFZAUUVTRG-UHFFFAOYSA-N
MW478.49 g/mol
LogP3.65
Rot. Bonds7

About 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine

4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine (PubChem CID 123737381) has the molecular formula C24H26F4N4O2 and a molecular weight of 478.49 g/mol. Its IUPAC name is 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine
PubChem CID123737381
Molecular FormulaC24H26F4N4O2
Molecular Weight478.49 g/mol
Exact Mass478.20
IUPAC Name4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine
SMILESCCOCC1=C(CN2CCOCC2)NC(c2ccccn2)=NC1(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N4O2/c1-2-33-16-19-21(15-32-11-13-34-14-12-32)30-22(20-5-3-4-10-29-20)31-23(19,24(26,27)28)17-6-8-18(25)9-7-17/h3-10H,2,11-16H2,1H3,(H,30,31)
InChIKeyKPGWZFZAUUVTRG-UHFFFAOYSA-N
XLogP3.65
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine (CID 123737381) is 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine is CCOCC1=C(CN2CCOCC2)NC(c2ccccn2)=NC1(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine?
The InChIKey is KPGWZFZAUUVTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O2/c1-2-33-16-19-21(15-32-11-13-34-14-12-32)30-22(20-5-3-4-10-29-20)31-23(19,24(26,27)28)17-6-8-18(25)9-7-17/h3-10H,2,11-16H2,1H3,(H,30,31).
What are the key properties of 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine?
4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine has a molecular weight of 478.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethoxymethyl)-4-(4-fluorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-yl]methyl]morpholine is sourced from PubChem (CID 123737381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).