1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone

C17H16F3N3O2S — CID 1140843

IUPAC1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
SMILESO=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)14-10-13(12-4-2-1-3-5-12)21-16(22-14)26-11-15(24)23-6-8-25-9-7-23/h1-5,10H,6-9,11H2
InChIKeyHUPNCCZWGIVFJK-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.11
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone

1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone (PubChem CID 1140843) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
PubChem CID1140843
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
SMILESO=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)14-10-13(12-4-2-1-3-5-12)21-16(22-14)26-11-15(24)23-6-8-25-9-7-23/h1-5,10H,6-9,11H2
InChIKeyHUPNCCZWGIVFJK-UHFFFAOYSA-N
XLogP3.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Phenyl-6-trifluoromethyl-pyrimidin-4-yl)-morpholine
CID 796071
4-(3-Morpholinopropyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 52945849
N-(2-Morpholin-4-yl-ethyl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionamide
CID 648112
1-[2-[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 649304
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
4-(4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl)morpholine
CID 891729
[4-(4-Fluoro-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-acetic acid isopropyl ester
CID 993296
N-benzyl-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 993299
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 1090938
N-(tert-butyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]ace tamide
CID 1146213
4-{[2-(4-Morpholinyl)-2-oxoethyl]thio}-2-phenyl-5,6,7,8-tetrahydroquinazoline
CID 2138715
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 3144676

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone (CID 1140843) is 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone is O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
The InChIKey is HUPNCCZWGIVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c18-17(19,20)14-10-13(12-4-2-1-3-5-12)21-16(22-14)26-11-15(24)23-6-8-25-9-7-23/h1-5,10H,6-9,11H2.
What are the key properties of 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone has a molecular weight of 383.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone is sourced from PubChem (CID 1140843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).