2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine

C19H17F3N4OS — CID 133379378

IUPAC2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC(c2ccsc2)O1
InChIInChI=1S/C19H17F3N4OS/c1-12-9-26(10-15(27-12)13-5-7-28-11-13)17-8-16(19(20,21)22)24-18(25-17)14-4-2-3-6-23-14/h2-8,11-12,15H,9-10H2,1H3
InChIKeyYRYFOTVZKBFCTO-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.59
Rot. Bonds3

About 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine

2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine (PubChem CID 133379378) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine
PubChem CID133379378
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC(c2ccsc2)O1
InChIInChI=1S/C19H17F3N4OS/c1-12-9-26(10-15(27-12)13-5-7-28-11-13)17-8-16(19(20,21)22)24-18(25-17)14-4-2-3-6-23-14/h2-8,11-12,15H,9-10H2,1H3
InChIKeyYRYFOTVZKBFCTO-UHFFFAOYSA-N
XLogP4.59
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine with MolForge

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Related Compounds

6-(6-Morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen-2-ylpyrimidin-4-ylamine
CID 44423531
6-(6-Morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen-3-ylpyrimidin-4-ylamine
CID 44423532
N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 155514726
4-(4-Pyridin-4-yl-6-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 44390935
4-(5-Fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 119052291
1-(5-Pyridin-2-ylthiophen-2-yl)-2-[[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 53373923
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[4-[2-(diethylamino)ethyl]thiophen-2-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 68111026
4-[2-Pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 137429827
Propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 142506541
4-[6-Propyl-2-(pyridin-2-ylmethoxy)thieno[2,3-d]pyrimidin-4-yl]-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 143953461
N-(2-ethyl-6-piperazin-1-yl-3-pyridinyl)-4-(5-methyl-1,1-dioxo-3,5-dihydro-2H-thieno[3,2-e][1,4]oxathiepin-7-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 170317903
4-(3,5-dihydro-2H-thieno[3,2-e][1,4]oxathiepin-7-yl)-N-[2-ethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170569758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine?
The IUPAC name of 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine (CID 133379378) is 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine?
The canonical SMILES for 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine is CC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC(c2ccsc2)O1.
What is the InChIKey of 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine?
The InChIKey is YRYFOTVZKBFCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c1-12-9-26(10-15(27-12)13-5-7-28-11-13)17-8-16(19(20,21)22)24-18(25-17)14-4-2-3-6-23-14/h2-8,11-12,15H,9-10H2,1H3.
What are the key properties of 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine?
2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine has a molecular weight of 406.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).