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

C11H11ClN2O2S — CID 172542094

IUPAC1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(c2cc3cnc(Cl)nc3s2)C1
InChIInChI=1S/C11H11ClN2O2S/c1-16-7-3-11(15,4-7)8-2-6-5-13-10(12)14-9(6)17-8/h2,5,7,15H,3-4H2,1H3
InChIKeyGLORYZRUPAYUSI-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.34
Rot. Bonds2

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

1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol (PubChem CID 172542094) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol
PubChem CID172542094
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(c2cc3cnc(Cl)nc3s2)C1
InChIInChI=1S/C11H11ClN2O2S/c1-16-7-3-11(15,4-7)8-2-6-5-13-10(12)14-9(6)17-8/h2,5,7,15H,3-4H2,1H3
InChIKeyGLORYZRUPAYUSI-UHFFFAOYSA-N
XLogP2.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 155542190
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-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542201
1-(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542220
(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol
CID 172542480
[1-(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutyl] acetate
CID 172542519
1-[2-(2-Imino-1-methanimidoylpyrimidin-5-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172582266
1-(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-methyl-3-(trifluoromethyl)cyclobutan-1-ol
CID 178540341
2-Chloro-6-[2-(3,3-difluorocyclobutyl)oxiran-2-yl]thieno[2,3-d]pyrimidine
CID 178540367
1-[2-[2-(Methylamino)pyrimidin-5-yl]thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 178540369

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol (CID 172542094) is 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol is COC1CC(O)(c2cc3cnc(Cl)nc3s2)C1.
What is the InChIKey of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol?
The InChIKey is GLORYZRUPAYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-16-7-3-11(15,4-7)8-2-6-5-13-10(12)14-9(6)17-8/h2,5,7,15H,3-4H2,1H3.
What are the key properties of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol?
1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol has a molecular weight of 270.74 g/mol, XLogP of 2.34, 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-methoxycyclobutan-1-ol is sourced from PubChem (CID 172542094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).