4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C17H14F3N3O2 — CID 134831649

IUPAC4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1nc(N2CCOCC2)ncc1-c1coc2ccccc12
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-12(13-10-25-14-4-2-1-3-11(13)14)9-21-16(22-15)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2
InChIKeySLYXLJSRTDGPFZ-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.75
Rot. Bonds2

About 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 134831649) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID134831649
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1nc(N2CCOCC2)ncc1-c1coc2ccccc12
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-12(13-10-25-14-4-2-1-3-11(13)14)9-21-16(22-15)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2
InChIKeySLYXLJSRTDGPFZ-UHFFFAOYSA-N
XLogP3.75
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
4-(1-Benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10498735
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
5-{[4''-(2-furyl)-4,5''-bipyrimidin-2''-yl]amino}pyridin-2(1H)-one
CID 11544506
4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
Carm1-IN-6
CID 50985208
N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234803

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 134831649) is 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine is FC(F)(F)c1nc(N2CCOCC2)ncc1-c1coc2ccccc12.
What is the InChIKey of 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is SLYXLJSRTDGPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)15-12(13-10-25-14-4-2-1-3-11(13)14)9-21-16(22-15)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2.
What are the key properties of 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 349.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 134831649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).