propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C19H21F3N4OS — CID 142506541

IUPACpropane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCCC.FC(F)(F)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C16H13F3N4OS.C3H8/c17-16(18,19)10-9-25-15-12(10)14(23-5-7-24-8-6-23)21-13(22-15)11-3-1-2-4-20-11;1-3-2/h1-4,9H,5-8H2;3H2,1-2H3
InChIKeySSXSUURGFFIYNK-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.03
Rot. Bonds2

About propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 142506541) has the molecular formula C19H21F3N4OS and a molecular weight of 410.47 g/mol. Its IUPAC name is propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Namepropane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID142506541
Molecular FormulaC19H21F3N4OS
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC Namepropane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCCC.FC(F)(F)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C16H13F3N4OS.C3H8/c17-16(18,19)10-9-25-15-12(10)14(23-5-7-24-8-6-23)21-13(22-15)11-3-1-2-4-20-11;1-3-2/h1-4,9H,5-8H2;3H2,1-2H3
InChIKeySSXSUURGFFIYNK-UHFFFAOYSA-N
XLogP5.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
5-(4-Morpholino-thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109202
N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2525652
4-(4-Methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2100253
4-(7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)morpholine
CID 736554
6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-2-pyridin-3-yl-thieno[3,2-d]pyrimidine
CID 24993871
5-(7-Methyl-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109643
5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45267044
6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidine
CID 46180606
5-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 56833541
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596219
4-(6-Piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
CID 134201418

Frequently Asked Questions

What is the IUPAC name of propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 142506541) is propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is CCC.FC(F)(F)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is SSXSUURGFFIYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS.C3H8/c17-16(18,19)10-9-25-15-12(10)14(23-5-7-24-8-6-23)21-13(22-15)11-3-1-2-4-20-11;1-3-2/h1-4,9H,5-8H2;3H2,1-2H3.
What are the key properties of propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 410.47 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 142506541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).