1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol

C11H8ClF3N2O2S — CID 172542201

IUPAC1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(Cl)nc3s2)CC(OC(F)(F)F)C1
InChIInChI=1S/C11H8ClF3N2O2S/c12-9-16-4-5-1-7(20-8(5)17-9)10(18)2-6(3-10)19-11(13,14)15/h1,4,6,18H,2-3H2
InChIKeyPJPSZEILMQGOQW-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol

1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol (PubChem CID 172542201) has the molecular formula C11H8ClF3N2O2S and a molecular weight of 324.71 g/mol. Its IUPAC name is 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol
PubChem CID172542201
Molecular FormulaC11H8ClF3N2O2S
Molecular Weight324.71 g/mol
Exact Mass323.99
IUPAC Name1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(Cl)nc3s2)CC(OC(F)(F)F)C1
InChIInChI=1S/C11H8ClF3N2O2S/c12-9-16-4-5-1-7(20-8(5)17-9)10(18)2-6(3-10)19-11(13,14)15/h1,4,6,18H,2-3H2
InChIKeyPJPSZEILMQGOQW-UHFFFAOYSA-N
XLogP3.23
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol 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-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
2-(Tetrahydropyran-4-ylamino)-6-[(2-fluorophenyl)hydroxylmethyl]thieno[2,3-d]pyrimidine
CID 10172384
(2-Fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
CID 71054297
(4-Chlorothieno[2,3-d]pyrimidin-6-yl)-(2,6-difluorophenyl)methanol
CID 88119554
1-[2-(1-Methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542041
(S)-(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
CID 172542078
1-[2-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542157
1-(2-Pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542203
1-(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542220
1-[6-(2-Aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol
CID 172542308
(R)-(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
CID 172542335
3,3-Difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol
CID 172542435

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol?
The IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol (CID 172542201) is 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol?
The canonical SMILES for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol is OC1(c2cc3cnc(Cl)nc3s2)CC(OC(F)(F)F)C1.
What is the InChIKey of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol?
The InChIKey is PJPSZEILMQGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2S/c12-9-16-4-5-1-7(20-8(5)17-9)10(18)2-6(3-10)19-11(13,14)15/h1,4,6,18H,2-3H2.
What are the key properties of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol?
1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol has a molecular weight of 324.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol is sourced from PubChem (CID 172542201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).